2-(4-chlorophenyl)sulfanylethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H19ClO5S MolecularWeight: 382.85846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClO5S/c1-21-15-10-12(11-16(22-2)17(15)23-3)18(20)24-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,8-9H2,1-3H3