(3Z)-1-[3-(dimethylamino)propyl]-4-methyl-3-[[4-[(4Z)-3-methyl-4-[(E)-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]phenyl]hydrazinylidene]-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-dione; iron(3+); 2-oxidanylpropanoate; 2-oxidanylpropanoic acid

Systemtic Name: (3Z)-1-[3-(dimethylamino)propyl]-4-methyl-3-[[4-[(4Z)-3-methyl-4-[(E)-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-5-oxidanylidene-pyrazol-1-yl]phenyl]hydrazinylidene]-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-dione; iron(3+); 2-oxidanylpropanoate; 2-oxidanylpropanoic acid Openeye Name: ferric; (3Z)-1-[3-(dimethylamino)propyl]-4-methyl-3-[[4-[(4Z)-3-methyl-4-[(E)-(4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazono]-5-oxo-pyrazol-1-yl]phenyl]hydrazono]-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-dione; 2-hydroxypropanoate; 2-hydroxypropanoic acid CAS Name: (3Z)-1-[3-(dimethylamino)propyl]-4-methyl-3-[[4-[(4Z)-3-methyl-4-[(E)-(4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinylidene]-5-oxo-1-pyrazolyl]phenyl]hydrazinylidene]-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-dione; 2-hydroxypropanoate; 2-hydroxypropanoic acid; iron(3+) IUPAC Name: (3Z)-1-[3-(dimethylamino)propyl]-4-methyl-3-[[4-[(4Z)-3-methyl-4-[(E)-(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-5-oxopyrazol-1-yl]phenyl]hydrazinylidene]-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-dione; 2-hydroxypropanoate; 2-hydroxypropanoic acid; iron(3+) Traditional Name: ferric; (3Z)-1-[3-(dimethylamino)propyl]-3-[[4-[(4Z)-5-keto-4-[(E)-(6-keto-4-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazono]-3-methyl-2-pyrazolin-1-yl]phenyl]hydrazono]-4-methyl-5-(4H-pyridin-4-id-1-yl)pyridine-2,6-quinone; lactate; lactic acid Formula: C73H79FeN20O21 MolecularWeight: 1628.37476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=NNC2=CC=C(C=C2)N3C(=O)C(=NN=C4C=CC(=CC4=O)[N+](=O)[O-])C(=N3)C)CCCN(C)C)N5C=C[CH-]C=C5.CC1=C(C(=O)N(C(=O)C1=NNC2=CC=C(C=C2)N3C(=O)C(=NN=C4C=CC(=CC4=O)[N+](=O)[O-])C(=N3)C)CCCN(C)C)N5C=C[CH-]C=C5.CC(C(=O)O)O.CC(C(=O)O)O.CC(C(=O)[O-])O.[Fe+3]

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=N\NC2=CC=C(C=C2)N3N=C(/C(=N/N=C\4/C(=O)C=C(C=C4)[N+](=O)[O-])/C3=O)C)CCCN(C)C)N5C=C[CH-]C=C5.CC\1=C(C(=O)N(C(=O)/C1=N\NC2=CC=C(C=C2)N3N=C(/C(=N/N=C\4/C(=O)C=C(C=C4)[N+](=O)[O-])/C3=O)C)CCCN(C)C)N5C=C[CH-]C=C5.CC(O)C(=O)O.CC(O)C(=O)O.CC(O)C(=O)[O-].[Fe+3]

InChI

InChI=1S/2C32H31N10O6.3C3H6O3.Fe/c2*1-20-27(30(44)40(18-8-15-38(3)4)32(46)29(20)39-16-6-5-7-17-39)35-33-22-9-11-23(12-10-22)41-31(45)28(21(2)37-41)36-34-25-14-13-24(42(47)48)19-26(25)43;3*1-2(4)3(5)6;/h2*5-7,9-14,16-17,19,33H,8,15,18H2,1-4H3;3*2,4H,1H3,(H,5,6);/q2*-1;;;;+3/p-1/b2*34-25+,35-27-,36-28-;;;;