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

Systemtic Name: 4-[2-(2-methylphenyl)sulfanylethanoyl]benzoic acid Openeye Name: 4-[2-(o-tolylsulfanyl)acetyl]benzoic acid CAS Name: 4-[2-[(2-methylphenyl)thio]-1-oxoethyl]benzoic acid IUPAC Name: 4-[2-(2-methylphenyl)sulfanylacetyl]benzoic acid Traditional Name: 4-[2-(o-tolylthio)acetyl]benzoic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O3S/c1-11-4-2-3-5-15(11)20-10-14(17)12-6-8-13(9-7-12)16(18)19/h2-9H,10H2,1H3,(H,18,19)