Basic information
- Standard SMILES
CCOc1ccc(Nc2ccc(/C(=C3/C=CC(=[N+](CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Na+]- InChIKey
RWVGQQGBQSJDQV-UHFFFAOYSA-M- Molecular formula
- C47H48N3NaO7S2
- Average molar mass
- 854 g/mol
Overview
See also: C.I. Acid Blue 90 (preferred).
Names & identifiers
- Preferred name
- Coomassie Brilliant Blue G-250
- IUPAC
- sodium 3-[[4-[(E)-[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
Names & synonyms
MFCD00078482Coomassie Brilliant Blue G-250Brilliant blue G-250Bleu brillant GBlu brillante GBrillant blue GAzul brillante Gbril-lant blue gAzul Brilhante GBrilliant Blue G, pureBrilliant Blue G, ultrapureBBG;Brilliant blue G-250
Show more names
Coomassie Brilliant Blue G-250 [for Electrophoresis]CBB G-250Page blue G 90, for microscopyRWVGQQGBQSJDQV-UHFFFAOYSA-MHMS5086M06Benzenemethanaminium,N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium saltEBC-27495s3217
Database identifiers
- PubChem CID
- 6324599
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
2 records
Compound notes
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