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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCCSC2=CC=C(C=C2)Cl)OC)OC

InChI

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