Basic information
- CAS
68227-17-8- Standard SMILES
CC(C)(C)c1ccc([O-])c(C(=O)[O-])c1.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1ccccc1C(=O)[O-].[Cr+3].[Na+]- InChIKey
JMTAZVPKLURGHG-UHFFFAOYSA-J- Molecular formula
- C28H24CrN4NaO6
- Average molar mass
- 587.5 g/mol
- Monoisotopic mass
- 587.099858
Names & identifiers
- Preferred name
- Chromate(1-), [2-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]benzoato(2-)-kappaO][2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO]-, sodium (1:1)
- IUPAC
- sodium;5-tert-butyl-2-oxidobenzoate;chromium(3+);2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
Names & synonyms
Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium (1:1)Chromate(1-), [2-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]benzoato(2-)-kappaO][2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO]-, sodium (1:1)RefChem:576215DTXCID701769604Chromate(1-), [2-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]benzoato(2-)-.kappa.O][2-(hydroxy-.kappa.O)-5-(1,1-dimethylethyl)benzoato(2-)-.kappa.O]-, sodium (1:1)DTXSID001340241EINECS 269-336-568227-17-8Chromate(1-), (2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodiumSodium (5-tert-butylsalicylato(2-)O1,O2)(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-)JMTAZVPKLURGHG-UHFFFAOYSA-JChromate(1-), [2-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(2-)-.kappa.O][2-(hydroxy-.kappa.O)-5-(1,1-dimethylethyl)benzoato(2-)-.kappa.O]-, sodium
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 673
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromate(1-), [2-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]benzoato(2-)-.kappa.O][2-(hydroxy-.kappa.O)-5-(1,1-dimethylethyl)benzoato(2-)-.kappa.O]-, sodium (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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