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

Systemtic Name: [4-(4-chlorophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Openeye Name: [4-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [4-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [4-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [4-(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=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Cl

InChI

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