5-methyl-2-oxidanyl-3-[(2-propan-2-ylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 5-methyl-2-oxidanyl-3-[(2-propan-2-ylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 2-hydroxy-3-[(2-isopropylphenyl)sulfanylmethyl]-5-methyl-benzoic acid CAS Name: 2-hydroxy-5-methyl-3-[[(2-propan-2-ylphenyl)thio]methyl]benzoic acid IUPAC Name: 2-hydroxy-5-methyl-3-[(2-propan-2-ylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 2-hydroxy-5-methyl-3-[(o-cumenylthio)methyl]benzoic acid Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)CSC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)CSC2=CC=CC=C2C(C)C

InChI

InChI=1S/C18H20O3S/c1-11(2)14-6-4-5-7-16(14)22-10-13-8-12(3)9-15(17(13)19)18(20)21/h4-9,11,19H,10H2,1-3H3,(H,20,21)