Molecule FYI-1009448

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Molecule Summary:

ID: FYI-1009448
Names:
InChIKey: AXMVYSVVTMKQSL-OWOJBTEDSA-N
SMILES: O=C/C=C/c1ccc(O)c(O)c1

Received at FYIcenter.com on: 2024-05-10

Molecule ID: FYI-1009448 Edit

Molecule Structure InChIKey: AXMVYSVVTMKQSL-OWOJBTEDSA-N

Molecule Structure SMILES String: O=C/C=C/c1ccc(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009448
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009448-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.0729   -1.7228    0.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7426    0.9749    0.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0493    0.3111    0.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -0.1875   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7657   -1.1550   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1002    1.1662   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035   -0.7687    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397    0.5850    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4380    1.5525   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -0.5902   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6907    0.1924    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0556   -0.3580   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161   -2.2139   -0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6446    1.9528   -0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    2.6105   -0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8045   -1.6162   -0.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    1.2153    0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9368   -1.2777    0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    1.9466    0.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1313   -1.4048   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  9  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1391👍, 0💬