(4-methylsulfanylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClO4S/c1-20-15-9-12(8-14(18)16(15)21-2)17(19)22-10-11-4-6-13(23-3)7-5-11/h4-9H,10H2,1-3H3