Molecule FYI-1006641

A

Molecule Summary:

ID: FYI-1006641
Names:
InChIKey: QANDEDGCUIVVRB-UHFFFAOYSA-N
SMILES: c1ccc3c(c1)cc4ccc6c2oc2cc5ccc3c4c56

Received at FYIcenter.com on: 2024-01-08

Molecule ID: FYI-1006641 Edit

Molecule Structure InChIKey: QANDEDGCUIVVRB-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)cc4ccc6c2oc2cc5ccc3c4c56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006641
FYIcenter.com

 21 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    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
    1.2124    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
    2.4249    4.2000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19 18  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  1  0  0  0  0
 21 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006641-3D
FYIcenter.com

 31 36  0  0  0  0  0  0  0  0999 V2000
    4.7848   -0.1933   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301    1.1458   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805    1.5059   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372    0.5446    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259   -0.8172    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7889   -1.1673    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -1.8218    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -1.5182   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8764   -2.5413   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2453   -2.2560   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7036   -0.9427   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0536   -0.7987   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2378   -0.1595   -0.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2408    0.5921   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052    1.7200   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1499    1.4657   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2143    2.4973   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    2.2021    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384    0.8742   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3276   -0.1691   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7198    0.1208   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8325   -0.4807   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    1.9166   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600    2.5693   -0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0888   -2.2135    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -2.8656    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5666   -3.5853   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9463   -3.0908   -0.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9427    2.7065   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301    3.5379   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8302    3.0484    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  2  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2024-01-15, 196👍, 0💬