C.I. Acid Blue 9
diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
| Molecular Formula | C37H42N4O9S3 |
|---|---|
| Molecular Weight | 783.0 g/mol |
| Topological Polar Surface Area | 205.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 782.21136 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 2650-18-2 |
|---|---|
| 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-].[NH4+].[NH4+] |
| InChIKey | HMEKVHWROSNWPD-UHFFFAOYSA-N |
📖 Product Overview
C.I. Acid Blue 9 (CAS: 2650-18-2) is a chemical compound with molecular formula C37H42N4O9S3 and molecular weight 783.0 g/mol. Its IUPAC systematic name is diazanium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.
HMEKVHWROSNWPD-UHFFFAOYSA-N.
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-].[NH4+].[NH4+].
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