5-tert-butyl-2-methyl-6-oxidanyl-3-phenylsulfanyl-benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-phenylsulfanyl-benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-phenylsulfanyl-benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(phenylthio)benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-phenylsulfanylbenzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-(phenylthio)benzoic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C18H20O3S/c1-11-14(22-12-8-6-5-7-9-12)10-13(18(2,3)4)16(19)15(11)17(20)21/h5-10,19H,1-4H3,(H,20,21)