Molecule FYI-1004366

Home > Molecule

A

Molecule Summary:

ID: FYI-1004366
Names:
InChIKey: GXNOLUGIWFCDMJ-YPKPFQOOSA-N
SMILES: O=C(O)/C(=C(O)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-09-02

Molecule ID: FYI-1004366 Edit

Molecule Structure InChIKey: GXNOLUGIWFCDMJ-YPKPFQOOSA-N

Molecule Structure SMILES String: O=C(O)/C(=C(O)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004366
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    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
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  7 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004366-3D
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.9443   -0.0513    0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1296   -0.1258   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7671    0.8668   -0.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9639   -1.3293    0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092   -2.4790    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326   -2.6140    0.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870   -3.7451    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3131   -4.0528    2.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9554   -5.2544    2.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -6.1567    1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9261   -5.8664    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -4.6651   -0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377   -1.2341    0.1727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583   -1.5488   -0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -1.3565   -1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2119   -0.8542    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5052   -0.5569    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1224   -0.7467    1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006    0.6849   -0.9885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -1.7286    0.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0560   -3.3649    2.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044   -5.4894    3.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7671   -7.0921    1.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1527   -6.5782   -0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -4.4566   -1.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6510   -1.9405   -1.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0973   -1.5954   -1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868   -0.7027    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0312   -0.1795    2.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855   -0.5035    2.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2252👍, 0💬