Basic information
- CAS
71097-29-5- Standard SMILES
Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccc4c(O)c(N=Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)ccc5O)c(S(=O)(=O)O)cc4c3)c(O)c12.[Cu].[K+].[K+].[K+].[K+]- InChIKey
OYKRAOLCVZGYJK-UHFFFAOYSA-N- Molecular formula
- C28H23CuK4N5O18S5+4
- Average molar mass
- 1,097.8 g/mol
- Monoisotopic mass
- 1,095.748588
Names & identifiers
- Preferred name
- Cuprate(4-), (4-amino-5-hydroxy-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-1,3-naphthalenedisulfonato(6-))-, tetrapotassium
- IUPAC
- tetrapotassium;4-amino-5-hydroxy-6-[[5-hydroxy-6-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,3-disulfonic acid;copper
Names & synonyms
71097-29-5Cuprate(4-), (4-amino-5-hydroxy-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-1,3-naphthalenedisulfonato(6-))-, tetrapotassiumCuprate(4-), (4-amino-5-hydroxy-6-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-1,3-naphthalenedisulfonato(6-))-, potassium (1:4)
Database identifiers
- CAS
71097-29-5- PubChem CID
- 136192521
Properties
Computed structural properties
- Topological polar surface area
- 439 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 0
- Heavy atoms
- 61
- Formal charge
- 4
- Complexity
- 2,030
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(4-), [4-amino-5-hydroxy-6-[2-[5-(hydroxy-.kappa.O)-6-[2-[2-(hydroxy-.kappa.O)-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl-.kappa.N1]-7-sulfo-2-naphthalenyl]diazenyl]-1,3-naphthalenedisulfonato(6-)]-, potassium (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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