sodium 4-[[4-[(2-nitrophenyl)-nitroso-amino]phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[4-[(2-nitrophenyl)-nitroso-amino]phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[4-(2-nitro-N-nitroso-anilino)phenyl]azobenzenesulfonate CAS Name: sodium 4-[4-(2-nitro-N-nitrosoanilino)phenyl]azobenzenesulfonate IUPAC Name: sodium 4-[[4-(2-nitro-N-nitrosoanilino)phenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[4-(2-nitro-N-nitroso-anilino)phenyl]azobesylate Formula: C18H12N5NaO6S MolecularWeight: 449.37255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O6S.Na/c24-21-22(17-3-1-2-4-18(17)23(25)26)15-9-5-13(6-10-15)19-20-14-7-11-16(12-8-14)30(27,28)29;/h1-12H,(H,27,28,29);/q;+1/p-1