5-tert-butyl-2-methyl-3-(4-methylphenyl)sulfanyl-6-oxidanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-3-(4-methylphenyl)sulfanyl-6-oxidanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(p-tolylsulfanyl)benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[(4-methylphenyl)thio]benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(4-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(p-tolylthio)benzoic acid Formula: C19H22O3S MolecularWeight: 330.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C(C)(C)C)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C(C)(C)C)O)C(=O)O)C

InChI

InChI=1S/C19H22O3S/c1-11-6-8-13(9-7-11)23-15-10-14(19(3,4)5)17(20)16(12(15)2)18(21)22/h6-10,20H,1-5H3,(H,21,22)