2-methoxy-5-[(phenylmethylsulfanyl)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(phenylmethylsulfanyl)methyl]benzoic acid Openeye Name: 5-(benzylsulfanylmethyl)-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[(phenylmethylthio)methyl]benzoic acid IUPAC Name: 5-(benzylsulfanylmethyl)-2-methoxybenzoic acid Traditional Name: 5-[(benzylthio)methyl]-2-methoxy-benzoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=CC=CC=C2)C(=O)O

InChI

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