disodium; 4-[4-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide; iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium; 4-[4-[[3-[bis(oxidanidyl)amino]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonamide; iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate Openeye Name: ferric; disodium; 4-[4-[[3-(dioxidoamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazono]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonamide; 4-[3-methyl-4-(5-nitro-2-oxido-phenyl)azo-5-oxido-pyrazol-1-yl]benzenesulfonate CAS Name: disodium; 4-[4-[[3-(dioxidoamino)-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonamide; iron(3+); 4-[3-methyl-4-(5-nitro-2-oxidophenyl)azo-5-oxido-1-pyrazolyl]benzenesulfonate IUPAC Name: disodium; 4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide; iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate Traditional Name: ferric; disodium; 4-[4-[[3-(dioxidoamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]hydrazono]-5-keto-3-methyl-2-pyrazolin-1-yl]benzenesulfonamide; 4-[3-methyl-4-(5-nitro-2-oxido-phenyl)azo-5-oxido-pyrazol-1-yl]besylate Formula: C32H22FeN11Na2O13S2 MolecularWeight: 934.53752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Na+].[Na+].[Fe+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)N.[Na+].[Na+].[Fe+3]

InChI

InChI=1S/C16H12N6O6S.C16H13N5O7S.Fe.2Na/c1-9-15(19-18-13-8-11(22(25)26)4-7-14(13)23)16(24)21(20-9)10-2-5-12(6-3-10)29(17,27)28;1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;;;/h2-8H,1H3,(H2,17,27,28);2-8,22-23H,1H3,(H,26,27,28);;;/q-2;;+3;2*+1/p-3