Molecule FYI-1016716

A

Molecule Summary:

ID: FYI-1016716
Names:
InChIKey: SBKPSHZVULRXED-KQONMDDCSA-N
SMILES: C[C@@H]1C2C=CC1[C@H]3C(=O)OC(=O)[C@@H]23

Received at FYIcenter.com on: 2026-02-28

Molecule ID: FYI-1016716 Edit

Molecule Structure InChIKey: SBKPSHZVULRXED-KQONMDDCSA-N

Molecule Structure SMILES String: C[C@@H]1C2C=CC1[C@H]3C(=O)OC(=O)[C@@H]23

Download SDF Download SVG Structure in 2D SDF:

FYI-1016716
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    4.8133    3.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    4.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061    5.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    4.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6061    2.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    3.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6677    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3633    2.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    0.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164    1.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  1  1  0  0  0  0
  7  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  1  1  0  0  0
  5  9  1  1  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016716-3D
FYIcenter.com

 23 25  0  0  1  0  0  0  0  0999 V2000
    2.0031    0.4504    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -0.3764   -0.1542 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5230    0.2068   -0.3910 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1289   -1.0629   -0.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1726   -1.6467   -1.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9351   -0.7644   -1.6337 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2814    0.5208   -2.4261 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2447    1.5930   -2.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428    1.4825   -2.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857    2.7189   -1.8482 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8898    2.5137   -1.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4814    3.3378   -0.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3966    1.1550   -1.5945 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3553    0.9872    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070   -0.2326    0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5142    1.1570   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.2668    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270    0.5928    0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1390   -1.4130   -0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552   -2.5686   -2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -1.2589   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    0.3137   -3.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3204    1.2512   -2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  1  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  6  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 23  1  6  0  0  0
M  END
$$$$

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2026-03-22, 704👍, 0💬