Molecule FYI-1014438

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A

Molecule Summary:

ID: FYI-1014438
Names:
InChIKey: UMFCIIBZHQXRCJ-NSCUHMNNSA-N
SMILES: C/C=C/c1ccc(O)cc1

Received at FYIcenter.com on: 2025-04-16

Molecule ID: FYI-1014438 Edit

Molecule Structure InChIKey: UMFCIIBZHQXRCJ-NSCUHMNNSA-N

Molecule Structure SMILES String: C/C=C/c1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014438
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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    2.8000    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
    1.2124    0.7000    0.0000 C   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    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  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  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014438-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.6319    0.3429    0.0924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -0.2764   -0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0426    1.0214   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   -1.3663   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -0.4942   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205    1.2292   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7767   -1.1585    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877    0.1394    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8586    0.4171    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3263    0.1455    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    1.8987   -0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189   -2.3851    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2204   -1.4895   -0.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8068    2.2449   -0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4472   -2.0114    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5969    1.4156    0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7795    0.2887    1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8001    0.8390   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5429   -0.8753   -0.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    1.2994    0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  2  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2025-04-26, 188👍, 0💬