Molecule FYI-1014147

Home > Molecule

A

Molecule Summary:

ID: FYI-1014147
Names:
InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N
SMILES: Cc2cc(=O)c1ccccc1c2=O

Received at FYIcenter.com on: 2025-03-05

Molecule ID: FYI-1014147 Edit

Molecule Structure InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)c1ccccc1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014147
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014147-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.3588    2.3003   -0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0774   -2.8887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3588    0.6927   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7008   -0.6604   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    0.0500    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574    1.1120   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3489   -1.6942   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -1.2427    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3662    1.6652    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0471   -1.0435   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295    0.4998    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7075    1.2804    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0473   -0.0711    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -2.0229    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1280    2.7254    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3361   -2.0911   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2260   -0.3454    0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7397    1.1035    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7416    1.1028   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881    2.0358    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0921   -0.3678    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1396👍, 0💬