sodium 4-[[4-[(2,4-dinitrophenyl)amino]-3-nitro-phenyl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[4-[(2,4-dinitrophenyl)amino]-3-nitro-phenyl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[4-(2,4-dinitroanilino)-3-nitro-phenyl]azobenzenesulfonate CAS Name: sodium 4-[4-(2,4-dinitroanilino)-3-nitrophenyl]azobenzenesulfonate IUPAC Name: sodium 4-[[4-(2,4-dinitroanilino)-3-nitrophenyl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[4-(2,4-dinitroanilino)-3-nitro-phenyl]azobesylate Formula: C18H11N6NaO9S MolecularWeight: 510.36951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H12N6O9S.Na/c25-22(26)13-4-8-16(18(10-13)24(29)30)19-15-7-3-12(9-17(15)23(27)28)21-20-11-1-5-14(6-2-11)34(31,32)33;/h1-10,19H,(H,31,32,33);/q;+1/p-1