Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)

HCID 175261

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Basic information

CAS: 72906-63-9
Standard SMILES: O=S(=O)([O-])c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)c([O-])c4)cc3[O-])c([O-])ccc2c1.[Cu+2].[Cu+2].[Li+].[Li+].[Li+]
InChIKey: BERXHMVEBURKAD-UHFFFAOYSA-G
Molecular formula: C32H15Cu2Li3N4O13S3
Average molar mass: 907.7 g/mol
Monoisotopic mass: 905.88698

Overview

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Names & identifiers

Preferred name: Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)
IUPAC: dicopper;trilithium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate

Names & synonyms

Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, lithium (1:3)DTXSID201341352Cuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3)RefChem:579825DTXCID60177030572906-63-9EINECS 277-009-3BERXHMVEBURKAD-DNSVJSARSA-GCuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trilithiumNS00126198Cuprate(3-), (mu-(4-((3,3'-di(hydroxy-kappaO)-4'-((2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, trilithium

Show more names

Trilithium (mu-(4-((3,3'-dihydroxy-4'-((2-hydroxy-6-sulpho-1-naphthyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-hydroxynaphthalene-2,7-disulphonato(7-)))dicuprate(3-)

Database identifiers

CAS: 72906-63-9
PubChem CID: 175261
EC Number: 277-009-3

Properties

Computed structural properties

Topological polar surface area: 338 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 17
Rotatable bonds: 5
Heavy atoms: 57
Formal charge: 0
Complexity: 1,610

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 1 item

Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[2-(hydroxy-.kappa.O)-6-sulfo-1-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, lithium (1:3): INACTIVE

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