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

Systemtic Name: 4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]benzoic acid Openeye Name: 4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]benzoic acid CAS Name: 4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]benzoic acid IUPAC Name: 4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]benzoic acid Traditional Name: 4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]benzoic acid Formula: C23H30O3S MolecularWeight: 386.5475

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30O3S/c1-22(2,3)18-13-17(14-19(20(18)24)23(4,5)6)27-12-11-15-7-9-16(10-8-15)21(25)26/h7-10,13-14,24H,11-12H2,1-6H3,(H,25,26)