Molecule FYI-1009331

A

Molecule Summary:

ID: FYI-1009331
Names:
InChIKey: XDSSXSYKKAYGRA-UHFFFAOYSA-N
SMILES: CN(C)C(=O)C2C=CC(C1C=CC=C(O)C1)=CC2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009331 Edit

Molecule Structure InChIKey: XDSSXSYKKAYGRA-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)C2C=CC(C1C=CC=C(O)C1)=CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009331
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  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
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  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 16  1  0  0  0  0
 18 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009331-3D
FYIcenter.com

 37 38  0  0  1  0  0  0  0  0999 V2000
    0.9944   -0.1035   -0.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4470   -0.1070   -0.1640 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1501    0.9470   -0.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0684   -1.1592    0.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3975   -2.0054    1.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6041   -1.2499    0.4220 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1405   -1.8643    1.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -3.1287    1.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5794   -4.0053    0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0034   -5.4653    0.7335 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1638   -5.6299    1.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781   -6.0976    2.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440   -6.3833    3.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6146   -6.5146    2.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3149   -6.7049    2.9954 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148   -6.3896    1.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2574   -3.4964   -0.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970   -2.0307   -0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5991    0.7970   -0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6236   -0.1608    0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6475   -0.9866   -0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    1.6551   -1.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    0.5061   -1.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7902    1.4862   -0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -0.2438    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310   -1.2621    2.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8878   -3.5271    2.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784   -5.8086   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1518   -5.3270    1.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8059   -6.1858    3.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5074   -6.4492    4.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2568   -6.4785    3.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8960   -6.0471    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0171   -7.3971    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2213   -4.1382   -1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2462   -1.9054   -1.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9332   -1.6135   -1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  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 16  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1701👍, 0💬