Chromate(5-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-)]-, hydrogen (1:5)

HCID 175656

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Basic information

CAS: 95892-10-7
Standard SMILES: Cc1nn(-c2cccc(S(=O)(=O)[O-])c2)c([O-])c1N=Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc12.Cc1nn(-c2cccc(S(=O)(=O)[O-])c2)c([O-])c1N=Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc12.[Cr+3].[H+].[H+].[H+].[H+].[H+]
InChIKey: QADORQSNSXPLLL-UHFFFAOYSA-K
Molecular formula: C40H29CrN8O16S4
Average molar mass: 1,058 g/mol
Monoisotopic mass: 1,056.998941

Names & identifiers

Preferred name: Chromate(5-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-)]-, hydrogen (1:5)
IUPAC: chromium(3+);hydron;bis(4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidonaphthalene-1-sulfonate)

Names & synonyms

Chromate(5-), bis(4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-))-, hydrogen (1:5)DTXSID401341146Chromate(5-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-)]-, hydrogen (1:5)Chromate(5-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(4-)]-, hydrogen (1:5)RefChem:576811DTXCID80177011395892-10-7EINECS 306-070-1Chromate(5-), bis(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-))-, pentahydrogenChromate(5)-, bis(4-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(4-))-, pentahydrogenChromate(5-), bis[4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(4-)]-, pentahydrogenPentahydrogen bis(4-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(4-))chromate(5-)

Database identifiers

CAS: 95892-10-7
PubChem CID: 175656
EC Number: 306-070-1

Properties

Computed structural properties

Topological polar surface area: 440 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 22
Rotatable bonds: 6
Heavy atoms: 69
Formal charge: 0
Complexity: 939

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationChromate(5-), bis[4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(4-)]-, hydrogen (1:5): INACTIVE

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