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

Systemtic Name: [7-(2-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Openeye Name: [7-(o-tolyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-7-(o-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C24H20O7S MolecularWeight: 452.4764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C24H20O7S/c1-13-7-5-6-8-16(13)17-11-15(12-20-21(17)31-24(26)32-20)30-23(25)14-9-18(27-2)22(29-4)19(10-14)28-3/h5-12H,1-4H3