Molecule FYI-1016457

A

Molecule Summary:

ID: FYI-1016457
Names:
InChIKey: XCRBSWGKIIKXCM-NCUBBLFSSA-N
SMILES: C=C[C@@](C)(/C=C/c1ccc(=O)c(=O)c1)CC/C=C(C)/C

Received at FYIcenter.com on: 2026-01-08

Molecule ID: FYI-1016457 Edit

Molecule Structure InChIKey: XCRBSWGKIIKXCM-NCUBBLFSSA-N

Molecule Structure SMILES String: C=C[C@@](C)(/C=C/c1ccc(=O)c(=O)c1)CC/C=C(C)/C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016457
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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
    2.4249    1.4000    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
    7.2747    2.8000    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  2  2  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  7  1  0  0  0  0
 11 10  2  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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
  7 20  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016457-3D
FYIcenter.com

 42 42  0  0  1  0  0  0  0  0999 V2000
    1.3724   -0.8235   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144   -0.0892    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9446    1.1861   -0.3285 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5832    1.6724   -1.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6054    2.2714    0.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    3.1335    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3233    4.1393    1.6675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989    5.1699    1.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1095    6.1137    2.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497    6.1468    3.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6594    6.9956    4.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950    5.0837    3.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2684    5.0351    3.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1367    4.1056    2.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4857    0.9288   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -0.1908   -1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871   -0.3516   -1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3824    0.2710   -1.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0350    1.3233   -2.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8482   -0.0594   -1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9230   -1.7248   -0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1109   -0.5663   -1.6806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196   -0.4416    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5084    1.8502   -1.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8540    0.9456   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015    2.6092   -1.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585    2.3091    1.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551    3.0969   -0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2281    5.1643    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    6.8764    3.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252    3.3626    2.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726    0.6769    0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0162    1.8624   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843   -0.0266   -2.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5474   -1.1498   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8424   -1.0863   -0.4073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707    1.5709   -2.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3203    0.9901   -3.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    2.2501   -2.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0595   -0.8402   -1.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4261    0.8283   -1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2034   -0.4209   -2.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 141👍, 0💬