4-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3,4-dimethoxyphenyl)methylthio]benzoic acid IUPAC Name: 4-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-(veratrylthio)benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C16H16O4S/c1-19-14-8-3-11(9-15(14)20-2)10-21-13-6-4-12(5-7-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)