2-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoate

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoate Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoate CAS Name: 2-[(3,4-dimethoxyphenyl)methylthio]benzoate IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]benzoate Traditional Name: 2-(veratrylthio)benzoate Formula: C16H15O4S- MolecularWeight: 303.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=CC=CC=C2C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=CC=CC=C2C(=O)[O-])OC

InChI

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