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

Systemtic Name: [7-(3-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-chloranylbenzoate Openeye Name: [7-(m-tolyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-keto-7-(m-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H13ClO4S MolecularWeight: 396.84352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClO4S/c1-12-3-2-4-14(9-12)17-10-16(11-18-19(17)26-21(24)27-18)25-20(23)13-5-7-15(22)8-6-13/h2-11H,1H3