Molecule FYI-1006479

Home > Molecule

A

Molecule Summary:

ID: FYI-1006479
Names:
InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CO1

Received at FYIcenter.com on: 2023-12-27

Molecule ID: FYI-1006479 Edit

Molecule Structure InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1CO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006479
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   25.6488    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4364    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2239    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0114    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5866    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9493    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7369    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 O   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  2  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  2  0  0  0  0
 20 18  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
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006479-3D
FYIcenter.com

 62 62  0  0  1  0  0  0  0  0999 V2000
    1.5586   -0.3393   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -0.3463   -0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023   -1.4940   -0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247   -1.5057   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6403   -2.6539    0.7487 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1612   -2.6646    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754   -3.8156    1.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1963   -3.8236    1.6186 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105   -4.9461    2.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4837   -4.7428    3.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9967   -5.8660    4.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5200   -5.8780    4.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0332   -7.0315    5.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5563   -7.0509    5.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0773   -8.2040    6.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5998   -8.2114    6.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1765   -9.3419    6.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6867   -9.2812    6.9409 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3385   -8.4760    6.2977 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2135  -10.3418    7.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5227  -10.7372    7.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3443  -11.6672    6.0192 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.6091  -12.9766    6.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0435  -12.9123    6.1145 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    0.4860   -1.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658   -0.2195    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685   -1.2762   -1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4447    0.6088   -0.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -0.4429   -1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291   -2.4491   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287   -1.3968    0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026   -0.5535    0.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5028   -1.6082   -1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -3.6078    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2632   -2.5541    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5369   -1.7127    1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5396   -2.7637   -0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2941   -4.7675    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948   -3.7143    2.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5662   -2.8639    1.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5779   -3.9357    0.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4341   -5.9592    2.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7577   -3.7281    3.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6253   -6.8242    3.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6129   -5.7547    5.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9007   -4.9274    4.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990   -5.9793    3.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6545   -7.9822    4.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6527   -6.9309    6.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9315   -6.0972    5.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9332   -7.1480    4.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7006   -9.1548    5.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6979   -8.1025    7.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9660   -7.2488    6.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9700   -8.3024    5.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8527  -10.3129    6.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8371   -9.2476    8.0091 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0354  -11.2442    8.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1300   -9.8703    6.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3217  -11.1720    5.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0706  -13.3735    5.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1803  -13.2352    7.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  2  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 60  1  0  0  0  0
 23 24  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 3216👍, 0💬