3-[2-(3-methylphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(3-methylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(m-tolylsulfanyl)ethoxy]benzoic acid CAS Name: 3-[2-[(3-methylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(3-methylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-(m-tolylthio)ethoxy]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c1-12-4-2-7-15(10-12)20-9-8-19-14-6-3-5-13(11-14)16(17)18/h2-7,10-11H,8-9H2,1H3,(H,17,18)