Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonato(3-)]-, hydrogen (1:1)
Basic information
- CAS
57036-53-0- Standard SMILES
Nc1cc(O)ccc1N=Nc1ccc(NC(=O)c2ccc(N=Nc3c(O)ccc(N=Nc4cc(S(=O)(=O)[O-])ccc4[O-])c3[O-])cc2)cc1.[Cu+2].[H+]- InChIKey
AAZBDVXFHDCBDC-UHFFFAOYSA-L- Molecular formula
- C31H22CuN8O8S
- Average molar mass
- 730.2 g/mol
- Monoisotopic mass
- 729.057728
Names & identifiers
- Preferred name
- Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonato(3-)]-, hydrogen (1:1)
- IUPAC
- copper;3-[[3-[[4-[[4-[(2-amino-4-hydroxyphenyl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-4-hydroxy-2-oxidophenyl]diazenyl]-4-oxidobenzenesulfonate;hydron
Names & synonyms
DTXSID001341287Cuprate(1-), (3-(2-(3-(2-(4-(((4-(2-(2-amino-4-hydroxyphenyl)diazenyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2-(hydroxy-kappaO)-4-hydroxyphenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogen (1:1)Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, hydrogen (1:1)Cuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-kappaO)-4-hydroxyphenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonato(3-)]-, hydrogen (1:1)RefChem:579596DTXCID60177022457036-53-0EINECS 260-527-9Cuprate(1-), (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2-(hydroxy-kappaO)-4-hydroxyphenyl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogenCopper, (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulfonato(2-))-Hydrogen (3-((3-((4-(((4-((2-amino-4-hydroxyphenyl)azo)phenyl)amino)carbonyl)phenyl)azo)-2,4-dihydroxyphenyl)azo)-4-hydroxybenzenesulphonato(3-))cuprate(1-)
Database identifiers
- CAS
57036-53-0- PubChem CID
- 92633
- DTXSID
DTXSID001341287- EC Number
- 260-527-9
Properties
Computed structural properties
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,240
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(1-), [3-[2-[3-[2-[4-[[[4-[2-(2-amino-4-hydroxyphenyl)diazenyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, hydrogen (1:1): INACTIVE
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