Molecule FYI-1010522

A

Molecule Summary:

ID: FYI-1010522
Names:
InChIKey: WZYRALPUSAFQBK-FPLPWBNLSA-N
SMILES: CCCC/C=C\\CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(OC(C)=O)c1=O

Received at FYIcenter.com on: 2024-06-13

Molecule ID: FYI-1010522 Edit

Molecule Structure InChIKey: WZYRALPUSAFQBK-FPLPWBNLSA-N

Molecule Structure SMILES String: CCCC/C=C\CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(OC(C)=O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010522
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.8499    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0  0  0  0
  2 10  1  0  0  0  0
  6 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010522-3D
FYIcenter.com

 77 77  0  0  0  0  0  0  0  0999 V2000
   12.6582    8.4057   -9.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732    7.3534   -8.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3441    6.6769   -8.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8099    5.6358   -7.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0929    1.9878   -5.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.1042   -1.5545   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5617   -2.5335   -0.8480 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
M  END
$$$$

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2024-06-30, 1274👍, 0💬