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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonic acid Openeye Name: 3-nitro-4-(p-tolylsulfonyl)benzenesulfonic acid CAS Name: 4-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonic acid IUPAC Name: 4-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonic acid Traditional Name: 3-nitro-4-tosyl-besylic acid Formula: C13H11NO7S2 MolecularWeight: 357.35894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO7S2/c1-9-2-4-10(5-3-9)22(17,18)13-7-6-11(23(19,20)21)8-12(13)14(15)16/h2-8H,1H3,(H,19,20,21)