3-[2-(2-methylphenyl)sulfanylethoxy]benzoate

Systemtic Name: 3-[2-(2-methylphenyl)sulfanylethoxy]benzoate Openeye Name: 3-[2-(o-tolylsulfanyl)ethoxy]benzoate CAS Name: 3-[2-[(2-methylphenyl)thio]ethoxy]benzoate IUPAC Name: 3-[2-(2-methylphenyl)sulfanylethoxy]benzoate Traditional Name: 3-[2-(o-tolylthio)ethoxy]benzoate Formula: C16H15O3S- MolecularWeight: 287.3535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCOC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1SCCOC2=CC=CC(=C2)C(=O)[O-]

InChI

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