Molecule FYI-1004216

A

Molecule Summary:

ID: FYI-1004216
Names:
InChIKey: JTXSEXBHFWHVAP-UHFFFAOYSA-N
SMILES: C[H+]CCCCCCCCCCCCCCCCCCCCCCCC[H+]CCCCCCCCCCCCC

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004216 Edit

Molecule Structure InChIKey: JTXSEXBHFWHVAP-UHFFFAOYSA-N

Molecule Structure SMILES String: C[H+]CCCCCCCCCCCCCCCCCCCCCCCC[H+]CCCCCCCCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004216
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
   47.2850    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0726    0.0000    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
   44.8601    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6477    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0103    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004216-3D
FYIcenter.com

118117  0  0  0  0  0  0  0  0999 V2000
    0.8095    0.0131   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9092    0.0300   -0.0492 H   0  3  0  0  0  0  0  0  0  0  0  0
    3.0188    0.0186   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5282   -0.9980    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480   -1.0153    0.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601   -2.0356    1.9945 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0796   -2.0444    2.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -3.0602    3.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1134   -3.0648    3.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268   -4.0800    4.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1440   -4.0842    4.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6544   -5.0994    5.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1719   -5.1039    5.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6828   -6.1183    6.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1992   -6.1223    6.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7097   -7.1362    7.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2249   -7.1416    7.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7373   -8.1577    8.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2543   -8.1633    8.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7649   -9.1812    9.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2830   -9.1882    9.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7892  -10.2055   10.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3072  -10.2197   10.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7976  -11.2419   11.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3128  -11.2684   11.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8091  -12.2882   12.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9127  -12.3073   12.1430 H   0  3  0  0  0  0  0  0  0  0  0  0
   28.0170  -12.2855   12.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5107  -10.9248   11.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0271  -10.8841   11.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5169   -9.5215   11.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0364   -9.4961   11.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5433   -8.1417   10.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0633   -8.1279   10.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5783   -6.7747   10.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0996   -6.7611   10.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6196   -5.4085    9.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1431   -5.3952    9.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6748   -4.0438    9.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1925   -4.0330    9.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536   -0.3063    0.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -0.6878   -0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    1.0126   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    1.0228    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729   -0.2243   -1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1456   -1.9924    0.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453   -0.7497    1.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4299   -0.0200    1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315   -1.2608   -0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1839   -3.0335    1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836   -1.7920    2.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4579   -1.0466    2.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4577   -2.2886    1.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -4.0597    2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -2.8172    4.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4899   -2.0662    3.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4900   -3.3087    2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2519   -5.0793    3.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2518   -3.8368    5.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5208   -3.0856    4.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   -4.3282    3.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2794   -6.0986    4.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2793   -4.8560    6.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5481   -4.1047    5.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5481   -5.3475    4.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3063   -7.1178    5.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3062   -5.8749    7.0404 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5748   -5.1227    6.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5747   -6.3654    5.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3324   -8.1350    6.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3350   -6.8929    8.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6033   -6.1423    7.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6012   -7.3841    6.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3592   -9.1555    7.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3637   -7.9137    9.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6318   -7.1656    8.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6274   -8.4060    7.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3875  -10.1791    8.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3897   -8.9397   10.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6599   -8.1896    9.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6577   -9.4302    8.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4106  -11.2030    9.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4093   -9.9634   11.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6870   -9.2224   10.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6889  -10.4633    9.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4140  -12.2358   10.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4120  -10.9936   12.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6935  -10.2739   11.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7053  -11.5167   10.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4464  -13.2911   11.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4527  -12.0379   13.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3723  -13.0756   11.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3797  -12.5027   13.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1174  -10.1447   12.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1296  -10.7207   10.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4133  -11.6654   10.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4110  -11.0923   12.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1316   -8.7371   11.8453 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1370   -9.3126   10.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4195  -10.2839   10.5189 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4133   -9.7073   12.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1630   -7.3538   11.3749 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1674   -7.9294    9.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4419   -8.9168   10.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4377   -8.3436   11.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.1983   -5.9864   10.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.2034   -6.5606    9.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.4769   -7.5528    9.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.4710   -6.9757   11.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2391   -4.6189   10.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2465   -5.1967    8.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.5187   -6.1877    9.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.5115   -5.6132   10.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3041   -3.2513    9.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3081   -3.8246    8.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.5832   -4.2246   10.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.5647   -3.0599    8.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.5872   -4.8004    8.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 14 67  1  0  0  0  0
 15 16  1  0  0  0  0
 15 68  1  0  0  0  0
 15 69  1  0  0  0  0
 16 17  1  0  0  0  0
 16 70  1  0  0  0  0
 16 71  1  0  0  0  0
 17 18  1  0  0  0  0
 17 72  1  0  0  0  0
 17 73  1  0  0  0  0
 18 19  1  0  0  0  0
 18 74  1  0  0  0  0
 18 75  1  0  0  0  0
 19 20  1  0  0  0  0
 19 76  1  0  0  0  0
 19 77  1  0  0  0  0
 20 21  1  0  0  0  0
 20 78  1  0  0  0  0
 20 79  1  0  0  0  0
 21 22  1  0  0  0  0
 21 80  1  0  0  0  0
 21 81  1  0  0  0  0
 22 23  1  0  0  0  0
 22 82  1  0  0  0  0
 22 83  1  0  0  0  0
 23 24  1  0  0  0  0
 23 84  1  0  0  0  0
 23 85  1  0  0  0  0
 24 25  1  0  0  0  0
 24 86  1  0  0  0  0
 24 87  1  0  0  0  0
 25 26  1  0  0  0  0
 25 88  1  0  0  0  0
 25 89  1  0  0  0  0
 26 27  1  0  0  0  0
 26 90  1  0  0  0  0
 26 91  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 92  1  0  0  0  0
 28 93  1  0  0  0  0
 29 30  1  0  0  0  0
 29 94  1  0  0  0  0
 29 95  1  0  0  0  0
 30 31  1  0  0  0  0
 30 96  1  0  0  0  0
 30 97  1  0  0  0  0
 31 32  1  0  0  0  0
 31 98  1  0  0  0  0
 31 99  1  0  0  0  0
 32 33  1  0  0  0  0
 32100  1  0  0  0  0
 32101  1  0  0  0  0
 33 34  1  0  0  0  0
 33102  1  0  0  0  0
 33103  1  0  0  0  0
 34 35  1  0  0  0  0
 34104  1  0  0  0  0
 34105  1  0  0  0  0
 35 36  1  0  0  0  0
 35106  1  0  0  0  0
 35107  1  0  0  0  0
 36 37  1  0  0  0  0
 36108  1  0  0  0  0
 36109  1  0  0  0  0
 37 38  1  0  0  0  0
 37110  1  0  0  0  0
 37111  1  0  0  0  0
 38 39  1  0  0  0  0
 38112  1  0  0  0  0
 38113  1  0  0  0  0
 39 40  1  0  0  0  0
 39114  1  0  0  0  0
 39115  1  0  0  0  0
 40116  1  0  0  0  0
 40117  1  0  0  0  0
 40118  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2627👍, 0💬