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

Systemtic Name: [7-(3-methylphenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-nitrobenzoate Openeye Name: [7-(m-tolyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-7-(m-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(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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