4-[[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenyl]carbonylsulfamoyl]benzoic acid

Systemtic Name: 4-[[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenyl]carbonylsulfamoyl]benzoic acid Openeye Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]benzoyl]sulfamoyl]benzoic acid CAS Name: 4-[[[4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]phenyl]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]benzoyl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]benzoyl]sulfamoyl]benzoic acid Formula: C30H35NO6S2 MolecularWeight: 569.732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C30H35NO6S2/c1-29(2,3)24-17-22(18-25(26(24)32)30(4,5)6)38-16-15-19-7-9-20(10-8-19)27(33)31-39(36,37)23-13-11-21(12-14-23)28(34)35/h7-14,17-18,32H,15-16H2,1-6H3,(H,31,33)(H,34,35)