Molecule FYI-1013577

A

Molecule Summary:

ID: FYI-1013577
Names:
InChIKey: CPVNCBJFUQQXSU-UHFFFAOYSA-O
SMILES: O=C(O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2025-01-12

Molecule ID: FYI-1013577 Edit

Molecule Structure InChIKey: CPVNCBJFUQQXSU-UHFFFAOYSA-O

Molecule Structure SMILES String: O=C(O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013577
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.3620    0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3620    2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5744    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5744    0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0308    4.2770    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.0433    5.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872    4.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560    6.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0124    6.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3869    4.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4005    1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7976    1.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013577-3D
FYIcenter.com

 50 52  0     0  0  0  0  0  0999 V2000
    0.7043    0.0069   -0.2040 P   0  3  0  0  0  0  0  0  0  0  0  0
   -5.3118    0.2305    0.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9415   -1.4728   -1.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4656    0.0200   -1.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946    0.3443   -1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    1.5902    0.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.2825   -0.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2251   -1.2991    0.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8443    0.4056   -2.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401    2.7107   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261   -0.2955   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -1.0438    1.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9199    1.6935    1.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747   -0.4939   -2.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788   -2.5647    0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720    0.7605   -1.9606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696    3.9534    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6977   -0.5231   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8493    2.9362    2.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7463   -0.7217   -2.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4021   -3.5903    1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    4.0661    1.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -0.7363   -1.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 50  1  0  0  0  0
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  8 12  2  0  0  0  0
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  9 31  1  0  0  0  0
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 10 17  1  0  0  0  0
 10 33  1  0  0  0  0
 11 18  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 20  2  0  0  0  0
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 14 21  2  0  0  0  0
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 15 22  2  0  0  0  0
 15 38  1  0  0  0  0
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 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
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 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1155👍, 0💬