Brilliant Blue FCF
disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
| Molecular Formula | C37H34N2Na2O9S3 |
|---|---|
| Molecular Weight | 792.9 g/mol |
| Topological Polar Surface Area | 203.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 792.1222 |
| Heavy Atoms | 53 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 3844-45-9 |
|---|---|
| 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-].[Na+].[Na+] |
| InChIKey | SGHZXLIDFTYFHQ-UHFFFAOYSA-L |
📖 Product Overview
Brilliant Blue FCF (CAS: 3844-45-9) is a chemical compound with molecular formula C37H34N2Na2O9S3 and molecular weight 792.9 g/mol. Its IUPAC systematic name is disodium;2-[[4-[ethyl-[(3-sulfonatophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate.
SGHZXLIDFTYFHQ-UHFFFAOYSA-L.
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-].[Na+].[Na+].
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