4,5-dimethoxy-2-(phenylmethylsulfanyl)benzoate

Systemtic Name: 4,5-dimethoxy-2-(phenylmethylsulfanyl)benzoate Openeye Name: 2-benzylsulfanyl-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-(phenylmethylthio)benzoate IUPAC Name: 2-benzylsulfanyl-4,5-dimethoxybenzoate Traditional Name: 2-(benzylthio)-4,5-dimethoxy-benzoate Formula: C16H15O4S- MolecularWeight: 303.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])SCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])SCC2=CC=CC=C2)OC

InChI

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