1. Primary Information
| English name: | Chrome Azurol S |
| CAS No.: | 1667-99-8 |
| Molecular formula: | C23H13Cl2NA3O9S |
| Molecular weight: | 605.3 g/mol |
| SMILES: | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
chromazurol S chrome azurol S |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | AR | 144 | RT | in stock | - |
| Kehua Intelligence | 100g | AR | 400 | RT | in stock | - |
| Kehua Intelligence | 500g | AR | 1600 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
trisodium;5-[(E)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
4.2 InChI
InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12+;;;
4.3 InChIKey
FUIZKNBTOOKONL-DPSBJRLESA-K
4.4 Canonical SMILES
CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
CC1=CC(=CC(=C1[O-])C(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
