6JD
4-(4-hydroxyphenyl)sulfonylphenol
Created: | 2016-05-26 |
Last modified: | 2016-10-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 27 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 4-(4-hydroxyphenyl)sulfonylphenol |
Systematic Name (OpenEye OEToolkits) | 4-(4-hydroxyphenyl)sulfonylphenol |
Formula | C12 H10 O4 S |
Molecular Weight | 250.27 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2 |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O |
Canonical SMILES | CACTVS | 3.385 | Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O |
InChI | InChI | 1.03 | InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H |
InChIKey | InChI | 1.03 | VPWNQTHUCYMVMZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6626 |
ChEMBL | CHEMBL384441 |
ChEBI | CHEBI:34372 |
CCDC/CSD | LIPWOW, PUVMOI, JOBRUQ, TEKKUP02, LIPWUC, LIPXIR, LIPYEO, LIPXEN, RAWCUN, TEKKUP, VINJEK |
COD | 2002971, 2002973, 2007867, 2002972, 2002979, 2002974, 2005460 |