Molecule FYI-1007920

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A

Molecule Summary:

ID: FYI-1007920
Names:
InChIKey: QTGBWSWGGMQZCI-UHFFFAOYSA-N
SMILES: Oc3ccc2cc(O)c(c1ccccc1O)cc2c3

Received at FYIcenter.com on: 2024-03-21

Molecule ID: FYI-1007920 Edit

Molecule Structure InChIKey: QTGBWSWGGMQZCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc2cc(O)c(c1ccccc1O)cc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007920
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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
    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
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  1  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007920-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.8439   -0.4567    0.0182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468   -0.0340    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    1.3176    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8805    1.6976   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1424    0.7335   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970    1.0878   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973    0.1039   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012    0.5284   -0.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1955   -1.2734   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297   -2.3584   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4606   -2.1791    0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542   -3.1648    0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2327   -4.3877    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256   -4.6175   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0478   -3.6133   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940   -3.8847   -1.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236   -1.5992    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1985   -0.6325    0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5515   -1.0041    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4222    0.3193   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    2.0798   -0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6339    2.7587   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679    2.1411   -0.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8302    1.4934   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6692   -1.2493    1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3970   -2.9682    1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9985   -5.1578    0.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8628   -5.5797   -1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -4.8048   -1.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289   -2.6452    0.1034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357   -2.0535    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

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2024-04-14, 1413👍, 0💬