Molecule FYI-1007276

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A

Molecule Summary:

ID: FYI-1007276
Names:
InChIKey: VSKRSEHLMRRKOS-FMIVXFBMSA-N
SMILES: CCCCCCC(O)C/C=C/CCCCCCCC(N)=O

Received at FYIcenter.com on: 2024-02-14

Molecule ID: FYI-1007276 Edit

Molecule Structure InChIKey: VSKRSEHLMRRKOS-FMIVXFBMSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007276
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    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  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007276-3D
FYIcenter.com

 56 55  0     1  0  0  0  0  0999 V2000
    4.1763   -1.5796    1.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8893    1.9522   -0.6070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3118    0.0707    0.6438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226   -1.3562   -0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190   -2.6714   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0988   -1.3651    0.0185 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4520   -2.7116   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7855    2.4562    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688    2.6980   -0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944    3.5992   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8569   -0.0797   -0.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3305   -3.9638   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6278    1.6153    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563    3.4090    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0943    1.8955   -0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092   -3.9768   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2689    1.1672    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7763    2.1830   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0364    0.8372    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491   -5.2203   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4898    1.0412    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0925   -0.5504    0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -1.1722   -1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9620   -2.8299    1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4522   -3.5095   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5998   -2.2137   -0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4068   -2.6088   -1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -1.8342   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1148    1.5079   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    2.3572    1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348    2.7560   -1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    3.6706    0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    3.6939   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    4.5457    0.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912   -0.1569    0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    0.0041   -1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1611   -4.8424   -0.5116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573   -4.0782    1.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5287    1.5314    1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3328    0.6462   -0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    3.3820    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344    4.2819   -0.1978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821    2.8823    0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2059    1.9389   -1.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8933   -3.9001   -1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030   -3.0922   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2413    1.2239    1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054    2.1316   -1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326   -0.1561    0.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9691    0.8359    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -1.6200    1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036   -6.1237   -0.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177   -5.3058    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5981   -5.1775   -0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3105    0.0771    0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9582   -0.6783    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 51  1  0  0  0  0
  2 21  2  0  0  0  0
  3 21  1  0  0  0  0
  3 55  1  0  0  0  0
  3 56  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6 11  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 17  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 20  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  2  0  0  0  0
 17 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 21  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
$$$$

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2024-04-14, 423👍, 0💬