Cuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(6-)]-, sodium (1:4)

HCID 175263

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Basic information

CAS: 72906-65-1
Standard SMILES: Cc1cc(S(=O)(=O)[O-])ccc1Nc1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4c([O-])cc(S(=O)(=O)[O-])c5ccccc45)c([O-])c23)n1.[Cu+2].[Na+].[Na+].[Na+].[Na+]
InChIKey: XVWIMSXRAXHTDI-UHFFFAOYSA-H
Molecular formula: C30H16ClCuN7Na4O14S4
Average molar mass: 1,017.7 g/mol
Monoisotopic mass: 1,015.821335

Names & identifiers

Preferred name: Cuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(6-)]-, sodium (1:4)
IUPAC: copper;tetrasodium;5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-oxido-3-[(2-oxido-4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate

Names & synonyms

Cuprate(4-), (5-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(6-))-, sodium (1:4)DTXSID801341281Cuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-kappaO)-3-[2-[2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl]diazenyl-kappaN1]-2,7-naphthalenedisulfonato(6-)]-, sodium (1:4)Cuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-4-sulfo-1-naphthalenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(6-)]-, sodium (1:4)RefChem:579972DTXCID90177042372906-65-1EINECS 277-011-4Cuprate(4-), (5-((4-chloro-6-((2-methyl-4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-4-sulfo-1-naphthalenyl)azo-kappaN1)-2,7-naphthalenedisulfonato(6-))-, tetrasodiumCuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-.kappa.O)-3-[[2-(hydroxy-.kappa.O)-4-sulfo-1-naphthalenyl]azo-.kappa.N1]-2,7-naphthalenedisulfonato(6-)]-, tetrasodiumTetrasodium (5-((4-chloro-6-(4-sulpho-o-toluidino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-4-sulpho-1-naphthyl)azo)naphthalene-2,7-disulphonato(6-))cuprate(4-)

Database identifiers

CAS: 72906-65-1
PubChem CID: 175263
EC Number: 277-011-4

Properties

Computed structural properties

Topological polar surface area: 396 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 21
Rotatable bonds: 6
Heavy atoms: 61
Formal charge: 0
Complexity: 1,820

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCuprate(4-), [5-[[4-chloro-6-[(2-methyl-4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-4-sulfo-1-naphthalenyl]diazenyl-.kappa.N1]-2,7-naphthalenedisulfonato(6-)]-, sodium (1:4): INACTIVE

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