Molecule FYI-1010426

A

Molecule Summary:

ID: FYI-1010426
Names:
InChIKey: GSTUNGJXXRUDRB-MBFWLKOUSA-N
SMILES: C=C/C=C\\C(C)\\C=C\\C1CC=C(C)C=CC(OP(=O)(O)O)C(O)C=C(C)C=CC=CC=CC=CCC(C)C(=C)CC(=O)O1

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010426 Edit

Molecule Structure InChIKey: GSTUNGJXXRUDRB-MBFWLKOUSA-N

Molecule Structure SMILES String: C=C/C=C\C(C)\C=C\C1CC=C(C)C=CC(OP(=O)(O)O)C(O)C=C(C)C=CC=CC=CC=CCC(C)C(=C)CC(=O)O1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010426
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   11.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.1000    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  3  1  0  0  0  0
  5  4  2  3  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  2  3  0  0  0
 10  9  1  0  0  0  0
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 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 38  1  0  0  0  0
 42 14  1  0  0  0  0
 43 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010426-3D
FYIcenter.com

 90 90  0  0  1  0  0  0  0  0999 V2000
    3.8591    2.2451    3.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1734    1.6561    1.6769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668    0.8520    0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0399   -0.6724    0.7899 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2185   -1.2084    1.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3551   -1.9233    1.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8328   -2.0098    4.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1019   -2.7190    6.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292   -3.7655    6.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7992   -2.1070    7.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0488   -1.1558    8.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0890   -0.7232   10.2198 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-06-30, 1308👍, 0💬