4-(4-methylphenyl)sulfonyl-3-nitro-benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-nitro-benzoic acid Openeye Name: 3-nitro-4-(p-tolylsulfonyl)benzoic acid CAS Name: 4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-nitrobenzoic acid Traditional Name: 3-nitro-4-tosyl-benzoic acid Formula: C14H11NO6S MolecularWeight: 321.30524

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6S/c1-9-2-5-11(6-3-9)22(20,21)13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)