Molecule FYI-1015035

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A

Molecule Summary:

ID: FYI-1015035
Names:
InChIKey: VQSNJQGQSBUYGI-UHFFFAOYSA-N
SMILES: CSCCC(CCCCC(=O)O)SC

Received at FYIcenter.com on: 2025-06-17

Molecule ID: FYI-1015035 Edit

Molecule Structure InChIKey: VQSNJQGQSBUYGI-UHFFFAOYSA-N

Molecule Structure SMILES String: CSCCC(CCCCC(=O)O)SC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015035
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  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  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015035-3D
FYIcenter.com

 34 33  0     1  0  0  0  0  0999 V2000
   -2.2578   -2.3478   -1.0517 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722    2.8171    0.2056 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0626    0.7493   -0.8968 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    0.1107    1.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -1.0938    0.2800 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6799   -0.9867    0.7848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3431   -0.4692   -0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    0.2188   -0.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7364   -0.3553    0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130    1.2990    0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    0.1184   -0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782   -3.8196   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596    0.3057    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1462    3.4535   -0.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7533   -1.4439    1.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6630   -0.3266    1.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434   -1.9591    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985   -1.1403   -1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0424    0.5171   -0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1999    0.5790   -1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7813    0.0164   -0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374   -1.3279    0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967    0.3407    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8233    1.5419    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4259    0.9506    1.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856    1.0801   -1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858   -0.6136   -1.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -4.7018   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9541   -3.7956    0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1956   -3.9228    0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3926    4.4415   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8931    2.8033   -1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    3.5578   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9493    0.8826   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 13  1  0  0  0  0
  3 34  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 1242👍, 0💬