6JD

4-(4-hydroxyphenyl)sulfonylphenol

Created: 2016-05-26
Last modified:  2016-10-12

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count28
Aromatic Bond Count12
2D diagram of 6JD

Chemical Component Summary

Name4-(4-hydroxyphenyl)sulfonylphenol
Systematic Name (OpenEye OEToolkits)4-(4-hydroxyphenyl)sulfonylphenol
FormulaC12 H10 O4 S
Molecular Weight250.27
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2
SMILESOpenEye OEToolkits2.0.5c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O
Canonical SMILESCACTVS3.385 Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2
Canonical SMILESOpenEye OEToolkits2.0.5 c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O
InChIInChI1.03 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
InChIKeyInChI1.03 VPWNQTHUCYMVMZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
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