Molecule FYI-1003156

A

Molecule Summary:

ID: FYI-1003156
Names:
InChIKey: XZXMCSKHRCMHIR-UHFFFAOYSA-N
SMILES: O=S(=O)(c1ccc(O)cc1)c4ccc(Oc3ccc(S(=O)(=O)c2ccc(O)cc2)cc3)cc4

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003156 Edit

Molecule Structure InChIKey: XZXMCSKHRCMHIR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(c1ccc(O)cc1)c4ccc(Oc3ccc(S(=O)(=O)c2ccc(O)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003156
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.9497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 31 16  1  0  0  0  0
 32 14  1  0  0  0  0
 33 32  2  0  0  0  0
 33 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003156-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    4.8312   -0.4096   -1.4528 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8374   -0.4052    1.4502 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -3.4565   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071    0.2638   -2.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -1.3273   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9364   -1.3521    1.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5889    0.2332    2.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5483    3.9364    2.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5472    3.9516   -2.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991   -1.3118   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0473    0.8849    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589   -0.9395   -1.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661   -0.9397    1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4950   -2.4046   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1301   -2.7406   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209   -2.7518    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -1.6601   -1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3508   -3.1254    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1674👍, 0💬