Acid blue 80
disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate
| Molecular Formula | C32H28N2Na2O8S2 |
|---|---|
| Molecular Weight | 678.7 g/mol |
| Topological Polar Surface Area | 189.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 678.1083 |
| Heavy Atoms | 46 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 4474-24-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+] |
| InChIKey | UHXQPQCJDDSMCB-UHFFFAOYSA-L |
📖 Product Overview
Acid blue 80 (CAS: 4474-24-2) is a chemical compound with molecular formula C32H28N2Na2O8S2 and molecular weight 678.7 g/mol. Its IUPAC systematic name is disodium;3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate.
UHXQPQCJDDSMCB-UHFFFAOYSA-L.
SMILES: CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+].
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