(4-methylsulfanylphenyl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (4-methylsulfanylphenyl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [4-(methylthio)benzyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)OC)OC

InChI

InChI=1S/C18H20O5S/c1-20-15-10-9-14(16(21-2)17(15)22-3)18(19)23-11-12-5-7-13(24-4)8-6-12/h5-10H,11H2,1-4H3