Molecule FYI-1007190

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A

Molecule Summary:

ID: FYI-1007190
Names:
InChIKey: OPVIBYRCQJUEDR-UHFFFAOYSA-N
SMILES: CCc1ccccc1c2ccccc2C[P+](N)=O

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007190 Edit

Molecule Structure InChIKey: OPVIBYRCQJUEDR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc1ccccc1c2ccccc2C[P+](N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007190
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    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
    0.4379    3.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0870    5.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0606    5.2201    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    1.6870    5.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    6.1636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1252    4.3109    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
  5  7  1  0  0  0  0
  8  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
  7 12  1  0  0  0  0
  7  8  2  0  0  0  0
  4 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007190-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    6.9527    3.3760   -0.6641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1895    2.1860   -0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7252    2.3969    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0043    3.3808   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625    3.6380   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    2.8788    0.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    1.8625    1.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408    1.5949    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990    0.4960    2.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5689   -0.3942    1.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3868   -1.3202    2.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190   -1.4408    3.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4053   -0.6637    4.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5582    0.2829    3.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907    1.0004    4.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0371   -0.0158    4.4446 P   0  3  3  0  0  0  0  0  0  0  0  0
    2.5216   -1.4824    5.1326 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082    0.5123    5.6503 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0050    3.1047   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9062    4.2421    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    3.6666   -1.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    1.8689    0.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2278    1.3837   -0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    3.9704   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1412    4.4133   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    3.0577    0.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584    1.2584    2.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6484   -0.3572    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0886   -1.9243    1.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9581   -2.1437    3.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3360   -0.8054    5.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4020    2.0245    4.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202    1.0811    5.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0983   -1.9919    4.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6816   -2.0418    5.2620 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 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1433👍, 0💬