sodium 4-[[4-[(2,4-dinitrophenyl)-nitroso-amino]-2-nitro-phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[4-[(2,4-dinitrophenyl)-nitroso-amino]-2-nitro-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[4-(2,4-dinitro-N-nitroso-anilino)-2-nitro-phenyl]azobenzenesulfonate CAS Name: sodium 4-[4-(2,4-dinitro-N-nitrosoanilino)-2-nitrophenyl]azobenzenesulfonate IUPAC Name: sodium 4-[[4-(2,4-dinitro-N-nitrosoanilino)-2-nitrophenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[4-(2,4-dinitro-N-nitroso-anilino)-2-nitro-phenyl]azobesylate Formula: C18H10N7NaO10S MolecularWeight: 539.36767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=O)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])N=O)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H11N7O10S.Na/c26-21-22(16-8-4-13(23(27)28)10-18(16)25(31)32)12-3-7-15(17(9-12)24(29)30)20-19-11-1-5-14(6-2-11)36(33,34)35;/h1-10H,(H,33,34,35);/q;+1/p-1