sodium 4-[[4-[(2-methyl-4-oxidanidyl-phenyl)diazenyl]phenyl]amino]-3-nitro-benzenesulfonate

Systemtic Name: sodium 4-[[4-[(2-methyl-4-oxidanidyl-phenyl)diazenyl]phenyl]amino]-3-nitro-benzenesulfonate Openeye Name: sodium 4-[4-(2-methyl-4-oxido-phenyl)azoanilino]-3-nitro-benzenesulfonate CAS Name: sodium 4-[4-(2-methyl-4-oxidophenyl)azoanilino]-3-nitrobenzenesulfonate IUPAC Name: sodium 4-[4-[(2-methyl-4-oxidophenyl)diazenyl]anilino]-3-nitrobenzenesulfonate Traditional Name: sodium 4-[4-(2-methyl-4-oxido-phenyl)azoanilino]-3-nitro-besylate Formula: C19H14N4NaO6S- MolecularWeight: 449.39243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O6S.Na/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26;/h2-11,20,24H,1H3,(H,27,28,29);/q;+1/p-2