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

Systemtic Name: [7-(2-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-nitrobenzoate Openeye Name: [7-(o-tolyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(2-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-7-(o-tolyl)-1,3-benzoxathiol-5-yl] ester Formula: C21H13NO6S MolecularWeight: 407.39602

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13NO6S/c1-12-4-2-3-5-16(12)17-10-15(11-18-19(17)28-21(24)29-18)27-20(23)13-6-8-14(9-7-13)22(25)26/h2-11H,1H3