Basic information
- CAS
73514-02-0- Standard SMILES
Cc1cc(S(=O)(=O)[O-])ccc1-n1nc(C)c(N=Nc2ccc(Cc3ccc([O-])c(N=Nc4c(C)nn(-c5ccc(S(=O)(=O)[O-])cc5C)c4[O-])c3)cc2[O-])c1[O-].[Cu+2].[Cu+2].[Na+].[Na+]- InChIKey
KKCRZYDKHVMAPK-UHFFFAOYSA-H- Molecular formula
- C35H26Cu2N8O10S2.2Na
- Average molar mass
- 955.8 g/mol
- Monoisotopic mass
- 953.960064
Names & identifiers
- Preferred name
- Cuprate(2-), (mu-(4,4'-(methylenebis((2-hydroxy-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulfonato(6-))))di-, disodium
- IUPAC
- dicopper;disodium;3-methyl-4-[3-methyl-4-[[4-[[3-[[3-methyl-1-(2-methyl-4-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-oxidophenyl]methyl]-2-oxidophenyl]diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Names & synonyms
Cuprate(2-), (mu-(4,4'-(methylenebis((2-hydroxy-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulfonato(6-))))di-, disodiumRefChem:579651Cuprate(2-), [.mu.-[4,4'-[methylenebis[(2-hydroxy-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-methylbenzenesulfonato(6-)]]]di-, disodium73514-02-0Cuprate(2-), (mu-(4,4'-(methylenebis((2-(hydroxy-kappaO)-4,1-phenylene)(azo-kappaN1)(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazole-4,1-diyl)))bis(3-methylbenzenesulfonato(6-))))di-, disodiumKKCRZYDKHVMAPK-UHFFFAOYSA-HCuprate(2-), [.mu.-[4,4'-[methylenebis[[2-(hydroxy-.kappa.O)-4,1-phenylene](azo-.kappa.N1)[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazole-4,1-diyl]]]bis[3-methylbenzenesulfonato(6-)]]]di-, disodium
Database identifiers
- CAS
73514-02-0- PubChem CID
- 175489
Properties
Computed structural properties
- Topological polar surface area
- 308 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,560
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cuprate(2-), [.mu.-[4,4'-[methylenebis[(2-hydroxy-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-methylbenzenesulfonato(6-)]]]di-, disodium
Other Safety InformationIMAP assessments - Cuprate(2-), [.mu.-[4,4'-[methylenebis[(2-hydroxy-4,1-phenylene)azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-methylbenzenesulfonato(6-)]]]di-, disodium: Human health tier I assessment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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