3-methyl-4-[2-(2-methylphenyl)sulfanylethanoyl]benzoic acid

Systemtic Name: 3-methyl-4-[2-(2-methylphenyl)sulfanylethanoyl]benzoic acid Openeye Name: 3-methyl-4-[2-(o-tolylsulfanyl)acetyl]benzoic acid CAS Name: 3-methyl-4-[2-[(2-methylphenyl)thio]-1-oxoethyl]benzoic acid IUPAC Name: 3-methyl-4-[2-(2-methylphenyl)sulfanylacetyl]benzoic acid Traditional Name: 3-methyl-4-[2-(o-tolylthio)acetyl]benzoic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)C2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)C2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H16O3S/c1-11-5-3-4-6-16(11)21-10-15(18)14-8-7-13(17(19)20)9-12(14)2/h3-9H,10H2,1-2H3,(H,19,20)