1. Primary Information
| English name: | Coomassie Blue G 250 |
| CAS No.: | 6104-58-1 |
| Molecular formula: | C47H48N3NAO7S2 |
| Molecular weight: | 854.0 g/mol |
| 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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+] |
| Structural class: | |
| Other identifiers: |
acid blue 90 brilliant blue G C.I. 42655 coomassie blue G coomassie Brilliant Blue |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 10g | 高纯 | 40 | RT | in stock | - |
| Kehua Intelligence | 25g | 高纯 | 80 | RT | in stock | - |
| Kehua Intelligence | 100g | 高纯 | 192 | RT | in stock | - |
| Kehua Intelligence | 500g | 高纯 | 800 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]-2-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-3-methylanilino]methyl]benzenesulfonate
4.2 InChI
InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1/p-1
4.3 InChIKey
RWVGQQGBQSJDQV-UHFFFAOYSA-M
4.4 Canonical 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=C3C)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC)C.[Na+]
4.5 Isomeric SMILES
-
