3-(2-oxidanylpropan-2-yl)-2-phenylsulfanyl-benzoic acid

Systemtic Name: 3-(2-oxidanylpropan-2-yl)-2-phenylsulfanyl-benzoic acid Openeye Name: 3-(1-hydroxy-1-methyl-ethyl)-2-phenylsulfanyl-benzoic acid CAS Name: 3-(2-hydroxypropan-2-yl)-2-(phenylthio)benzoic acid IUPAC Name: 3-(2-hydroxypropan-2-yl)-2-phenylsulfanylbenzoic acid Traditional Name: 3-(1-hydroxy-1-methyl-ethyl)-2-(phenylthio)benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC(=C1SC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC(=C1SC2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C16H16O3S/c1-16(2,19)13-10-6-9-12(15(17)18)14(13)20-11-7-4-3-5-8-11/h3-10,19H,1-2H3,(H,17,18)