Cobaltate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen (1:3)

HCID 175168

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Basic information

CAS: 72797-08-1
Standard SMILES: O=C1C=Cc2ccccc2C1=NN=C1C(=O)C=C(S(=O)(=O)[O-])c2cc(N([O-])[O-])ccc21.O=[N+]([O-])c1ccc2c(N=Nc3c([O-])ccc4ccccc34)c([O-])cc(S(=O)(=O)[O-])c2c1.[Co+3].[H+].[H+].[H+]
InChIKey: XAGYCTUGSNXICY-UHFFFAOYSA-M
Molecular formula: C40H23CoN6O14S2
Average molar mass: 934.7 g/mol
Monoisotopic mass: 934.00456

Names & identifiers

Preferred name: Cobaltate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen (1:3)
IUPAC: cobalt(3+);7-(dioxidoamino)-3-oxo-4-[(2-oxonaphthalen-1-ylidene)hydrazinylidene]naphthalene-1-sulfonate;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate

Names & synonyms

72797-08-1Cobaltate(3-), bis(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, trihydrogenCobaltate(3-), bis(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, hydrogen (1:3)Cobaltate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato)-, trihydrogenCobaltate(3-), bis(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, trihydrogenCobaltate(3-), bis[3-(hydroxy-kappaO)-4-[2-[2-(hydroxy-kappaO)-1-naphthalenyl]diazenyl-kappaN1]-7-nitro-1-naphthalenesulfonato(3-)]-, hydrogen (1:3)RefChem:578152Cobaltate(3-), bis[3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, hydrogen (1:3)

Database identifiers

CAS: 72797-08-1
PubChem CID: 175168

Properties

Computed structural properties

Topological polar surface area: 356 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 19
Rotatable bonds: 3
Heavy atoms: 63
Formal charge: 0
Complexity: 782

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCobaltate(3-), bis[3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, hydrogen (1:3): INACTIVE

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