C.I. DIRECT BLUE 80
dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
| Molecular Formula | C32H14Cu2N4Na4O16S4 |
|---|---|
| Molecular Weight | 1057.8 g/mol |
| Topological Polar Surface Area | 404.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 5 |
| Exact Mass | 1055.7471 |
| Heavy Atoms | 62 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 12222-00-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | FTGXCLZZPPMCHU-UHFFFAOYSA-F |
📖 Product Overview
C.I. DIRECT BLUE 80 (CAS: 12222-00-3) is a chemical compound with molecular formula C32H14Cu2N4Na4O16S4 and molecular weight 1057.8 g/mol. Its IUPAC systematic name is dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
FTGXCLZZPPMCHU-UHFFFAOYSA-F.
SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C6C=CC(=CC6=CC(=C5[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2].[Cu+2].
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