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Cuprate(3-), [4-amino-5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-1,3-naphthalenedisulfonato(5-)]-, hydrogen (1:3)

HCID 167256
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Basic information

CAS
15188-78-0
Standard SMILES
Nc1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2ccc(N=Nc3cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc3[O-])c([O-])c12.[Cu+2].[H+].[H+].[H+]
InChIKey
RXJHTIWDZCOYIU-UHFFFAOYSA-L
Molecular formula
C18H15CuN3O14S4
Average molar mass
689.1 g/mol
Monoisotopic mass
687.873284

Names & identifiers

Preferred name
Cuprate(3-), [4-amino-5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-1,3-naphthalenedisulfonato(5-)]-, hydrogen (1:3)
IUPAC
copper;4-amino-5-oxido-6-[[2-oxido-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,3-disulfonate;hydron
English name
trihydrogen [4-amino-5-hydroxy-6-[[2-hydroxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,3-disulphonato(5-)]cuprate(3-)
Molecular formula
C18H12CuN3O14S4.3H
Molecular weight
689.1294

Names & synonyms

EINECS 239-239-215188-78-0Cuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-1,3-naphthalenedisulfonato(5-))-, trihydrogenCuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-1,3-naphthalenedisulfonato(5-))-, hydrogen (1:3)DTXSID901341408Cuprate(3-), [4-amino-5-(hydroxy-kappaO)-6-[2-[2-(hydroxy-kappaO)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-kappaN1]-1,3-naphthalenedisulfonato(5-)]-, hydrogen (1:3)Cuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, hydrogen (1:3)RefChem:579744DTXCID701770346Cuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, trihydrogenTrihydrogen (4-amino-5-hydroxy-6-((2-hydroxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1,3-disulphonato(5-))cuprate(3-)trihydrogen [4-amino-5-hydroxy-6-[[2-hydroxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,3-disulphonato(5-)]cuprate(3-)

Database identifiers

CAS
15188-78-0
PubChem CID
167256
EC Number
239-239-2

Properties

Computed structural properties

Topological polar surface area
345 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
17
Rotatable bonds
6
Heavy atoms
40
Formal charge
0
Complexity
1,290

Physicochemical properties

EPA Substance Registry System
3 · Cuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, trihydrogen (15188-78-0)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCuprate(3-), [4-amino-5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-1,3-naphthalenedisulfonato(5-)]-, hydrogen (1:3): INACTIVE

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