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Summary
Name:2,6-bis(3,5-dihydroxybenzene-1-sulfonyl)naphthalene-1,5-diol
Formula:C22 H16 O10 S2
Formal charge:0
Formula weight:504.486 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,6-bis(3,5-dihydroxybenzene-1-sulfonyl)naphthalene-1,5-diol
OpenEye OEToolkits2.0.72,6-bis[[3,5-bis(oxidanyl)phenyl]sulfonyl]naphthalene-1,5-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1cc(cc(O)c1)S(=O)(=O)c1ccc2c(ccc(c2O)S(=O)(=O)c2cc(O)cc(O)c2)c1O
InChIInChI1.06InChI=1S/C22H16O10S2/c23-11-5-12(24)8-15(7-11)33(29,30)19-3-1-17-18(22(19)28)2-4-20(21(17)27)34(31,32)16-9-13(25)6-14(26)10-16/h1-10,23-28H
InChIKeyInChI1.06WTFSZPWQCHIXGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)cc(c1)[S](=O)(=O)c2ccc3c(O)c(ccc3c2O)[S](=O)(=O)c4cc(O)cc(O)c4
SMILESCACTVS3.385Oc1cc(O)cc(c1)[S](=O)(=O)c2ccc3c(O)c(ccc3c2O)[S](=O)(=O)c4cc(O)cc(O)c4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c2c1c(c(cc2)S(=O)(=O)c3cc(cc(c3)O)O)O)O)S(=O)(=O)c4cc(cc(c4)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(c2c1c(c(cc2)S(=O)(=O)c3cc(cc(c3)O)O)O)O)S(=O)(=O)c4cc(cc(c4)O)O

261139

PDB entries from 2026-10-21

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