sodium 5-[(2,4-dinitrophenyl)amino]-2-[(4-methylphenyl)amino]benzenesulfonate

Systemtic Name: sodium 5-[(2,4-dinitrophenyl)amino]-2-[(4-methylphenyl)amino]benzenesulfonate Openeye Name: sodium 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonate CAS Name: sodium 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonate IUPAC Name: sodium 5-(2,4-dinitroanilino)-2-(4-methylanilino)benzenesulfonate Traditional Name: sodium 5-(2,4-dinitroanilino)-2-(p-toluidino)besylate Formula: C19H15N4NaO7S MolecularWeight: 466.39977

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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-].[Na+]

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-].[Na+]

InChI

InChI=1S/C19H16N4O7S.Na/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);/q;+1/p-1