Acid Blue 7 free acid
benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
| Molecular Formula | C37H37N2O6S2+ |
|---|---|
| Molecular Weight | 669.8 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 132.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 669.2093 |
| Heavy Atoms | 47 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 1039452-58-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | VUXVWHOCQSLYRN-UHFFFAOYSA-O |
📖 Product Overview
Acid Blue 7 free acid (CAS: 1039452-58-8) is a chemical compound with molecular formula C37H37N2O6S2+ and molecular weight 669.8 g/mol. Its IUPAC systematic name is benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium.
VUXVWHOCQSLYRN-UHFFFAOYSA-O.
SMILES: CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O.
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