Molecule FYI-1010148

A

Molecule Summary:

ID: FYI-1010148
Names:
InChIKey: AQUWOLOJGKVYPK-DCRJLCJXSA-N
SMILES: C/C=C(Cl)\\C1=CC(=O)[C@H](Cl)[C@@]1(O)C(=O)OC

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010148 Edit

Molecule Structure InChIKey: AQUWOLOJGKVYPK-DCRJLCJXSA-N

Molecule Structure SMILES String: C/C=C(Cl)\C1=CC(=O)[C@H](Cl)[C@@]1(O)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1010148
FYIcenter.com

 16 16  0  0  1  0  0  0  0  0999 V2000
    5.9294    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6371    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2045    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    5.3870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8045    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1529    1.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    5.3870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2921    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
  9 14  1  1  0  0  0
  8 15  1  1  0  0  0
 16  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010148-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    3.7871    1.6483   -1.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    0.5933   -0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -0.6160   -1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0056   -1.6356    0.3478 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4286   -1.1274   -2.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170   -0.5121   -2.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621   -1.3500   -4.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212   -1.0777   -4.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -2.4937   -4.2143 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1351   -4.0125   -4.4920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8095   -2.4609   -2.8893 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4073   -3.4815   -1.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2992   -2.5119   -3.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -1.5309   -3.5330 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6657   -3.7996   -3.5836 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707   -3.9656   -4.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2153    2.5474   -1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295    1.9422   -2.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4723    1.3208   -2.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0371    0.8567    0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9125    0.4056   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6319   -2.2820   -5.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713   -4.1391   -2.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0007   -4.9414   -4.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7220   -3.9564   -3.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.2017   -4.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  6  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

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2024-06-03, 172👍, 0💬