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PV8

Summary
Name:4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol
Formula:C14 H13 N O5 S
Formal charge:0
Formula weight:307.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol
OpenEye OEToolkits1.7.64-[(5-oxidanyl-1,3-dihydroisoindol-2-yl)sulfonyl]benzene-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1ccc(O)cc1O)N3Cc2ccc(O)cc2C3
InChIInChI1.03InChI=1S/C14H13NO5S/c16-11-2-1-9-7-15(8-10(9)5-11)21(19,20)14-4-3-12(17)6-13(14)18/h1-6,16-18H,7-8H2
InChIKeyInChI1.03WRKXOYGLVREKOE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(O)cc3C2
SMILESCACTVS3.385Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(O)cc3C2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O

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건을2024-07-10부터공개중

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