methyl 4-(4-methylphenyl)sulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-(4-methylphenyl)sulfonyl-3-nitro-benzoate Openeye Name: methyl 3-nitro-4-(p-tolylsulfonyl)benzoate CAS Name: 4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfonyl-3-nitrobenzoate Traditional Name: 3-nitro-4-tosyl-benzoic acid methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c1-10-3-6-12(7-4-10)23(20,21)14-8-5-11(15(17)22-2)9-13(14)16(18)19/h3-9H,1-2H3