EINECS 275-961-4
copper;tetrasodium;2-[[[(2-oxido-3,5-disulfonatophenyl)diazenyl]-[3-[[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]methyl]diazenyl]-5-sulfonatobenzoate
Also Known As: Tetrasodium (2-((((2-hydroxy-3,5-disulphophenyl)azo)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo)-5-sulphobenzoato(6-))cuprate(4-)|Cuprate(4-), (2-((((2-(hydroxy-kappaO)-3,5-disulfophenyl)azo-kappaN2)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, tetrasodium|Cuprate(4-), (2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(3-(2-(4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)phenyl)methyl)diazenyl-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
| Molecular Formula | C30H14Cl3CuN9Na4O12S3 |
|---|---|
| Molecular Weight | 1047.7876 g/mol |
| LogP | -6.83591 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 1047.7876 |
| Monoisotopic Mass | 1047.7876 |
| Heavy Atoms | 62 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 71735-63-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)NC3=C(C(=NC(=N3)Cl)Cl)Cl)[C-](N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])N=NC5=C(C(=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | AKDMEXZPMVJFAU-UHFFFAOYSA-I |
Product Overview
EINECS 275-961-4 (CAS 71735-63-2), with molecular formula C30H14Cl3CuN9Na4O12S3 and molecular weight 1047.7876 g/mol. IUPAC: copper;tetrasodium;2-[[[(2-oxido-3,5-disulfonatophenyl)diazenyl]-[3-[[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]methyl]diazenyl]-5-sulfonatobenzoate.