Molecule FYI-1003856

Home > Molecule

A

Molecule Summary:

ID: FYI-1003856
Names:
InChIKey: KNXMUFRWYNVISA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCC(=O)OCC

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003856 Edit

Molecule Structure InChIKey: KNXMUFRWYNVISA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCC(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003856
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   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
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  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
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   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  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003856-3D
FYIcenter.com

 59 58  0  0  0  0  0  0  0  0999 V2000
    1.0088    0.0877   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5218    0.0846   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0410   -0.8519    1.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594   -0.8556    1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704   -1.7937    2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5875   -1.7975    2.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0979   -2.7334    3.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146   -2.7353    3.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1252   -3.6727    4.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6420   -3.6763    4.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1533   -4.6157    5.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6716   -4.6188    5.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1899   -5.5573    6.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7131   -5.5621    6.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2428   -6.5004    7.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7711   -6.5389    7.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2263   -7.5004    8.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4730   -8.1084    9.3946 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5917   -7.5175    8.7709 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0739   -7.8465   10.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0863   -6.5790   10.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6318    0.7598   -0.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217    0.4223    0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217   -0.9185   -0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939    1.1010    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.2343   -1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   -1.8687    0.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672   -0.5350    2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9347    0.1588    1.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9371   -1.1741    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6958   -2.8090    1.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957   -1.4757    3.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -0.7825    2.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630   -2.1174    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7239   -3.7490    3.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7216   -2.4146    4.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9886   -1.7200    3.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9909   -3.0528    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7496   -4.6875    4.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7496   -3.3542    5.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -2.6614    4.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0168   -3.9931    3.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7785   -5.6300    5.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7761   -4.2990    6.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0436   -3.6022    5.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0460   -4.9335    4.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8117   -6.5721    6.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8093   -5.2412    7.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0799   -4.5426    6.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0822   -5.8749    5.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8591   -7.5137    7.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8577   -6.1892    8.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477   -5.5301    7.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1512   -6.8723    6.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0919   -8.2439   10.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4452   -8.6047   10.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7230   -5.8148   10.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4544   -6.7801   11.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0791   -6.1573   11.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1027👍, 0💬