3-[(3-ethoxyphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(3-ethoxyphenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[(m-phenetylthio)methyl]benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC=C1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c1-2-19-14-7-4-8-15(10-14)20-11-12-5-3-6-13(9-12)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)