(4-methylsulfanylphenyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (4-methylsulfanylphenyl) 3,4,5-trimethoxybenzoate Openeye Name: (4-methylsulfanylphenyl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(methylthio)phenyl] ester Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H18O5S/c1-19-14-9-11(10-15(20-2)16(14)21-3)17(18)22-12-5-7-13(23-4)8-6-12/h5-10H,1-4H3