Molecule FYI-1015062

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A

Molecule Summary:

ID: FYI-1015062
Names:
InChIKey: AWOGYVKODMFDOG-UHFFFAOYSA-N
SMILES: CSCCCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2025-06-20

Molecule ID: FYI-1015062 Edit

Molecule Structure InChIKey: AWOGYVKODMFDOG-UHFFFAOYSA-N

Molecule Structure SMILES String: CSCCCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015062
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  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 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015062-3D
FYIcenter.com

 39 38  0     0  0  0  0  0  0999 V2000
   -6.7379    1.3273    0.3618 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5098   -0.1575   -0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3218    1.3600    0.7339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2557   -0.1662    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198   -0.7640   -0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.8581   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2948   -0.0365    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989   -0.5316   -0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8074   -0.2762    0.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433    0.1942    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0929   -0.9063   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347   -0.3754   -0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4051   -0.4415    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    0.3752    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2489    1.2568   -1.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -0.2316    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081    0.9001    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0480   -0.7299   -1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -1.8218    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5902   -0.7723   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4772   -1.9287    0.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    1.0323    0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804   -0.1154    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -1.6060   -0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373   -0.4132   -1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8203    0.8046    0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756   -0.4157    1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8765    0.1247    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7651    1.2615   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1282   -0.7632   -1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0262   -1.9920    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -0.3224   -1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2432   -1.4233   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2449   -1.0266    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3669   -0.6203    1.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5836    2.2499   -1.6821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0802    0.5589   -1.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4147    0.9633   -2.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2982    0.3394   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  1  0  0  0  0
  2 39  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1525👍, 0💬