disodium; 3-azanylbenzenesulfonate; 5-azanyl-2-phenylazanyl-benzenesulfonate; (4Z)-4-[(3,5-dinitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one; iron; 4-nitroaniline

Systemtic Name: disodium; 3-azanylbenzenesulfonate; 5-azanyl-2-phenylazanyl-benzenesulfonate; (4Z)-4-[(3,5-dinitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one; iron; 4-nitroaniline Openeye Name: disodium; 5-amino-2-anilino-benzenesulfonate; 3-aminobenzenesulfonate; (4Z)-3-hydroxy-4-[(2-hydroxy-3,5-dinitro-phenyl)hydrazono]cyclohexa-2,5-dien-1-one; iron; 4-nitroaniline CAS Name: disodium; 5-amino-2-anilinobenzenesulfonate; 3-aminobenzenesulfonate; (4Z)-3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]-1-cyclohexa-2,5-dienone; iron; 4-nitroaniline IUPAC Name: disodium; 5-amino-2-anilinobenzenesulfonate; 3-aminobenzenesulfonate; (4Z)-3-hydroxy-4-[(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one; iron; 4-nitroaniline Traditional Name: disodium; 5-amino-2-anilino-besylate; 3-aminobesylate; (4Z)-3-hydroxy-4-[(2-hydroxy-3,5-dinitro-phenyl)hydrazono]cyclohexa-2,5-dien-1-one; iron; (4-nitrophenyl)amine Formula: C36H31FeN9Na2O15S2 MolecularWeight: 995.63718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N.C1=CC(=CC=C1N)[N+](=O)[O-].C1=CC(=NNC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])C(=CC1=O)O.[Na+].[Na+].[Fe]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])N.C1=CC(=CC=C1N)[N+](=O)[O-].C1=C/C(=N/NC2=CC(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-])/C(=CC1=O)O.[Na+].[Na+].[Fe]

InChI

InChI=1S/C12H8N4O7.C12H12N2O3S.C6H6N2O2.C6H7NO3S.Fe.2Na/c17-7-1-2-8(11(18)5-7)13-14-9-3-6(15(20)21)4-10(12(9)19)16(22)23;13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10;7-5-1-3-6(4-2-5)8(9)10;7-5-2-1-3-6(4-5)11(8,9)10;;;/h1-5,14,18-19H;1-8,14H,13H2,(H,15,16,17);1-4H,7H2;1-4H,7H2,(H,8,9,10);;;/q;;;;;2*+1/p-2/b13-8-;;;;;;