RefChem:576399

chromium(3+);4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-olate;hydron

Also Known As: Chromate(1-), bis(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen|Chromate(1-), bis(2,4-dihydro-4-((2-hydroxy-5-(2,2-dimethylpropyl)-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogen|Chromate(1-), bis(4-(2-(5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)|Chromate(1-), bis[4-[[5-(2,2-dimethylpropyl)-2-(hydroxy-.kappa.O)-3-nitrophenyl]azo-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen|Chromate(1-), bis[4-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, hydrogen|Chromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-.kappa.O)-3-nitrophenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1)|Chromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl]diazenyl-kappaN1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)|chromium(3+); 4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one; 4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-5-methyl-2-phenylpyrazol-3-olate; hydron|Hydrogen bis(4-((2-hydroxy-5-neopentyl-3-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))chromate(1-)|Hydrogen bis[4-[[2-hydroxy-5-neopentyl-3-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]chromate(1-)

Molecular Formula	C42H43CrN10O8
Molecular Weight	867.267 g/mol
LogP	7.68302
Topological Polar Surface Area	258.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	867.267
Monoisotopic Mass	867.267
Heavy Atoms	61
Complexity	613.0

Chemical Identifiers

CAS Number	72797-06-9
SMILES	[H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)CC(C)(C)C)[N+](=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=NN=C2C=C(C=C(C2=O)N([O-])[O-])CC(C)(C)C)C3=CC=CC=C3.[Cr+3]
InChIKey	OARYXTPEYFGYTR-UHFFFAOYSA-M