C.I. Acid Blue 145
disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
| Molecular Formula | C21H14N2Na2O8S2 |
|---|---|
| Molecular Weight | 532.5 g/mol |
| Topological Polar Surface Area | 203.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 531.9987 |
| Heavy Atoms | 35 |
| Complexity | 976.0 |
Chemical Identifiers
| CAS Number | 6408-80-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | RHCZISCTNGVWCV-UHFFFAOYSA-L |
📖 Product Overview
C.I. Acid Blue 145 (CAS: 6408-80-6) is a chemical compound with molecular formula C21H14N2Na2O8S2 and molecular weight 532.5 g/mol. Its IUPAC systematic name is disodium;1-amino-4-(4-methyl-2-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate.
RHCZISCTNGVWCV-UHFFFAOYSA-L.
SMILES: CC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].
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