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PV0

Summary
Name:2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol
Formula:C14 H13 N O6 S
Formal charge:0
Formula weight:323.321 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol
OpenEye OEToolkits1.7.62-[2,4-bis(oxidanyl)phenyl]sulfonyl-1,3-dihydroisoindole-4,6-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(O)cc1O)N3Cc2cc(O)cc(O)c2C3
InChIInChI1.03InChI=1S/C14H13NO6S/c16-9-1-2-14(13(19)4-9)22(20,21)15-6-8-3-10(17)5-12(18)11(8)7-15/h1-5,16-19H,6-7H2
InChIKeyInChI1.03SVUZJWAAXPEMKJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3cc(O)cc(O)c3C2
SMILESCACTVS3.385Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3cc(O)cc(O)c3C2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O

225946

PDB entries from 2024-10-09

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