[7-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [7-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Openeye Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [7-(4-chlorophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C23H17ClO7S MolecularWeight: 472.89488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Cl)OC(=O)S3

InChI

InChI=1S/C23H17ClO7S/c1-27-17-8-13(9-18(28-2)21(17)29-3)22(25)30-15-10-16(12-4-6-14(24)7-5-12)20-19(11-15)32-23(26)31-20/h4-11H,1-3H3