Molecule FYI-1015858

Home > Molecule

A

Molecule Summary:

ID: FYI-1015858
Names:
InChIKey: LIEGDIPSBFPIEA-UHFFFAOYSA-N
SMILES: O=C(O)c3cc2cc1sc(C(=O)O)cc1cc2s3

Received at FYIcenter.com on: 2025-10-24

Molecule ID: FYI-1015858 Edit

Molecule Structure InChIKey: LIEGDIPSBFPIEA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3cc2cc1sc(C(=O)O)cc1cc2s3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015858
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.5538    2.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9864    3.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8538    4.7388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7212    3.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1538    2.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2985    4.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3632    4.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495    3.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0342    1.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4145    1.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0602    3.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    1.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    1.0348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    1.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8358    5.6971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4312    3.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  2  0  0  0  0
  6 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015858-3D
FYIcenter.com

 24 26  0     0  0  0  0  0  0999 V2000
   -2.7138    1.5143   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.5142    0.0001 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4804   -1.2725   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4806    1.2723   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7100    0.9887   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7098   -0.9889   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -0.6296    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    0.6297    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1652    0.7597    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1652   -0.7595    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0867   -1.3814    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0866    1.3815    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6475   -1.0440   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    1.0441    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247    0.0147   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5247   -0.0146    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9513   -0.0067   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9514    0.0066   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1496   -2.4684    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    2.4684    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9580   -2.0821   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9580    2.0822    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4613   -1.2544   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615    1.2541   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 903👍, 0💬