Cuprate(3-), [4-(hydroxy-kappaO)-5-[2-[1-(hydroxy-kappaO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-kappaN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)
Basic information
- CAS
70247-72-2- Standard SMILES
O=S(=O)([O-])c1cc(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4ccc(Nc5nc(Cl)nc(Cl)c5Cl)cc4)ccc3c2[O-])c([O-])c(S(=O)(=O)[O-])c1.[Cu+2].[Na+].[Na+].[Na+]- InChIKey
ZPCVESWWISKPDY-UHFFFAOYSA-I- Molecular formula
- C26H12Cl3CuN6Na3O11S3
- Average molar mass
- 919.5 g/mol
- Monoisotopic mass
- 916.778082
Overview
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Names & identifiers
- Preferred name
- Cuprate(3-), [4-(hydroxy-kappaO)-5-[2-[1-(hydroxy-kappaO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-kappaN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)
- IUPAC
- copper;trisodium;4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]naphthalen-2-yl]diazenyl]benzene-1,3-disulfonate
Names & synonyms
Cuprate(3-), (4-(hydroxy-kappaO)-5-(2-(1-(hydroxy-kappaO)-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)diazenyl-kappaN1)-1,3-benzenedisulfonato(5-))-, sodium (1:3)Cuprate(3-), [4-(hydroxy-kappaO)-5-[2-[1-(hydroxy-kappaO)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-kappaN1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)RefChem:579742Cuprate(3-), [4-(hydroxy-.kappa.O)-5-[2-[1-(hydroxy-.kappa.O)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-.kappa.N1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3)70247-72-2Cuprate(3-), [4-(hydroxy-.kappa.O)-5-[[1-(hydroxy-.kappa.O)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]azo-.kappa.N1]-1,3-benzenedisulfonato(5-)]-, trisodiumEINECS 274-502-5DTXSID1072058ZPCVESWWISKPDY-UHFFFAOYSA-I(4-Hydroxy-5-((1-hydroxy-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)azo)-1,3-benzenedisulfonato(5-))cuprate(3-), trisodiumCuprate(3-), (4-(hydroxy-kappaO)-5-((1-(hydroxy-kappaO)-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)azo-kappaN1)-1,3-benzenedisulfonato(5-))-, trisodium
Properties
Computed structural properties
- Topological polar surface area
- 317 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,470
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(3-), [4-(hydroxy-.kappa.O)-5-[2-[1-(hydroxy-.kappa.O)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]diazenyl-.kappa.N1]-1,3-benzenedisulfonato(5-)]-, sodium (1:3): INACTIVE
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Compound notes
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