Molecule FYI-1016090

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A

Molecule Summary:

ID: FYI-1016090
Names:
InChIKey: JFQFJSFFKPVWET-UHFFFAOYSA-N
SMILES: CCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Received at FYIcenter.com on: 2025-11-13

Molecule ID: FYI-1016090 Edit

Molecule Structure InChIKey: JFQFJSFFKPVWET-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCOC(=O)C(CC(=O)O)S(=O)(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016090
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    2.4249    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    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  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016090-3D
FYIcenter.com

 36 35  0     1  0  0  0  0  0999 V2000
    3.5137   -1.2791    0.3196 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -0.2136    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -0.5318    1.4535 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0822   -1.3840   -1.4686 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222   -1.2449   -0.9433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912   -2.5122    0.8723 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    3.3421   -0.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740    2.5547    1.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8683   -0.5668   -0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5382   -0.0977    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0898    0.0119    0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1993   -0.0884    0.2628 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3548   -0.6722   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4208   -0.4771   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    1.2150   -0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0121   -0.6479   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6004    0.1810    0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8407    2.4111    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9145   -1.6622   -0.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9146   -0.2880   -1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4670   -0.3891    1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832    0.9979    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0499    1.1068    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0376   -0.2490    1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993    0.0515    1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3833   -1.7677   -0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896   -0.3424   -1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4685   -0.2527   -1.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4937   -1.5653   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066    1.4548   -0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6480    1.1235   -1.4719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5971   -0.0459    1.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5721    1.2685    0.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5423   -0.1835    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0552   -0.5621    2.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    4.1225   -0.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 35  1  0  0  0  0
  4 16  2  0  0  0  0
  7 18  1  0  0  0  0
  7 36  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

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2026-04-13, 533👍, 0💬