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Summary
Name:5,5'-(naphthalene-2,6-diyldisulfonyl)di(benzene-1,2,3-triol)
Formula:C22 H16 O10 S2
Formal charge:0
Formula weight:504.486 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015,5'-(naphthalene-2,6-diyldisulfonyl)di(benzene-1,2,3-triol)
OpenEye OEToolkits2.0.75-[6-[3,4,5-tris(oxidanyl)phenyl]sulfonylnaphthalen-2-yl]sulfonylbenzene-1,2,3-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1cc(cc(O)c1O)S(=O)(=O)c1cc2ccc(cc2cc1)S(=O)(=O)c1cc(O)c(O)c(O)c1
InChIInChI1.06InChI=1S/C22H16O10S2/c23-17-7-15(8-18(24)21(17)27)33(29,30)13-3-1-11-5-14(4-2-12(11)6-13)34(31,32)16-9-19(25)22(28)20(26)10-16/h1-10,23-28H
InChIKeyInChI1.06LZDBRRVHERIZAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(cc(O)c1O)[S](=O)(=O)c2ccc3cc(ccc3c2)[S](=O)(=O)c4cc(O)c(O)c(O)c4
SMILESCACTVS3.385Oc1cc(cc(O)c1O)[S](=O)(=O)c2ccc3cc(ccc3c2)[S](=O)(=O)c4cc(O)c(O)c(O)c4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc2c1cc(cc2)S(=O)(=O)c3cc(c(c(c3)O)O)O)S(=O)(=O)c4cc(c(c(c4)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(cc2c1cc(cc2)S(=O)(=O)c3cc(c(c(c3)O)O)O)S(=O)(=O)c4cc(c(c(c4)O)O)O

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PDB entries from 2026-11-04

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