Molecule FYI-1007409

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Molecule Summary:

ID: FYI-1007409
Names:
InChIKey: ORCOTUBQRUWICQ-ZZXKWVIFSA-N
SMILES: O=C(S)/C=C/c1ccc(O)cc1

Received at FYIcenter.com on: 2024-02-21

Molecule ID: FYI-1007409 Edit

Molecule Structure InChIKey: ORCOTUBQRUWICQ-ZZXKWVIFSA-N

Molecule Structure SMILES String: O=C(S)/C=C/c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007409
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007409-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -4.5581    1.2946   -0.3008 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4564    0.4370   -0.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8492   -1.1664    0.2325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752   -0.3032    0.0680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540    0.9980    0.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2679   -1.3558   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    1.2466    0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396   -1.1071   -0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184    0.1941   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -0.5628    0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234    0.3606   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514   -0.0356   -0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1990    1.8455    0.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9135   -2.3766   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5868    2.2641    0.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303   -1.9309   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3348   -1.5946    0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7987    1.3960   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6086    1.3897    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6927    0.5935   -0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 20  1  0  0  0  0
  2  9  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1119👍, 0💬