Cuprate(8-), [mu-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-kappaO)-7-[2-[2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8)

HCID 175222

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Basic information

CAS: 72869-84-2
Standard SMILES: O=C(Nc1cc(S(=O)(=O)[O-])c2c([O-])c(N=Nc3c([O-])c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(O)c34)cc(S(=O)(=O)[O-])c2c1)Nc1cc(S(=O)(=O)[O-])c2c([O-])c(N=Nc3c([O-])c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(O)c34)cc(S(=O)(=O)[O-])c2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey: VMHIGETWZMWZMU-UHFFFAOYSA-B
Molecular formula: C41H16Cu2N6Na8O31S8
Average molar mass: 1,656.1 g/mol
Monoisotopic mass: 1,653.539916

Names & identifiers

Preferred name: Cuprate(8-), [mu-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-kappaO)-7-[2-[2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8)
IUPAC: dicopper;octasodium;5-hydroxy-4-[[6-[[6-[(8-hydroxy-2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]-5-oxido-4,8-disulfonatonaphthalen-2-yl]carbamoylamino]-1-oxido-4,8-disulfonatonaphthalen-2-yl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate

Names & synonyms

Cuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(7-((2,8-dihydroxy-3,6-disulfo-1-naphthalenyl)azo)-8-hydroxy-1,5-naphthalenedisulfonato))(12-)))di-, octasodium72869-84-2Cuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl)azo-kappaN1)-1,5-naphthalenedisulfonato))(12-)))di-, octasodiumCuprate(8-), (mu-((3,3'-(carbonyldiimino)bis(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl-kappaN1)-1,5-naphthalenedisulfonato))(12-)))di-, sodium (1:8)DTXSID101341230Cuprate(8-), [mu-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-kappaO)-7-[2-[2-(hydroxy-kappaO)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-kappaN1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8)Cuprate(8-), [.mu.-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-.kappa.O)-7-[2-[2-(hydroxy-.kappa.O)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-.kappa.N1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8)RefChem:580024DTXCID901770285

Database identifiers

CAS

Properties

Computed structural properties

Topological polar surface area: 748 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 35
Rotatable bonds: 6
Heavy atoms: 96
Formal charge: 0
Complexity: 3,220

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCuprate(8-), [.mu.-[[3,3'-(carbonyldiimino)bis[8-(hydroxy-.kappa.O)-7-[2-[2-(hydroxy-.kappa.O)-8-hydroxy-3,6-disulfo-1-naphthalenyl]diazenyl-.kappa.N1]-1,5-naphthalenedisulfonato]](12-)]]di-, sodium (1:8): INACTIVE

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