5-[(2,4-dinitrophenyl)amino]-2-[(4-methylphenyl)amino]benzenesulfonic acid

Systemtic Name: 5-[(2,4-dinitrophenyl)amino]-2-[(4-methylphenyl)amino]benzenesulfonic acid Openeye Name: 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonic acid CAS Name: 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonic acid IUPAC Name: 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonic acid Traditional Name: 5-(2,4-dinitroanilino)-2-(p-toluidino)besylic acid Formula: C19H16N4O7S MolecularWeight: 444.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C19H16N4O7S/c1-12-2-4-13(5-3-12)20-17-8-6-14(10-19(17)31(28,29)30)21-16-9-7-15(22(24)25)11-18(16)23(26)27/h2-11,20-21H,1H3,(H,28,29,30)