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)

HCID 175165

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Basic information

CAS: 72797-06-9
Standard SMILES: CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(CC(C)(C)C)C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(CC(C)(C)C)cc([N+](=O)[O-])c1[O-].[Cr+3].[H+]
InChIKey: OARYXTPEYFGYTR-UHFFFAOYSA-M
Molecular formula: C42H43CrN10O8
Average molar mass: 867.8 g/mol
Monoisotopic mass: 867.267038

Names & identifiers

Preferred name: 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)
IUPAC: 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

Names & synonyms

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)DTXSID201340473Chromate(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-[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)RefChem:576399DTXCID10176972572797-06-9EINECS 276-845-6Chromate(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)-, hydrogenChromate(1-), bis(2,4-dihydro-4-((2-hydroxy-5-(2,2-dimethylpropyl)-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogenHydrogen bis(4-((2-hydroxy-5-neopentyl-3-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))chromate(1-)

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 258 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 15
Rotatable bonds: 9
Heavy atoms: 61
Formal charge: 0
Complexity: 613

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationChromate(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): INACTIVE

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