Acid Blue 9
ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
| Molecular Formula | C37H37N2O9S3+ |
|---|---|
| Molecular Weight | 749.9 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 195.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 749.16614 |
| Heavy Atoms | 51 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 68921-42-6 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O |
| InChIKey | CTRXDTYTAAKVSM-UHFFFAOYSA-O |
📖 Product Overview
Acid Blue 9 (CAS: 68921-42-6) is a chemical compound with molecular formula C37H37N2O9S3+ and molecular weight 749.9 g/mol. Its IUPAC systematic name is ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium.
CTRXDTYTAAKVSM-UHFFFAOYSA-O.
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O.
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