1. Primary Information
| English name: | Chromoxane Cyanine R |
| CAS No.: | 3564-18-9 |
| Molecular formula: | C23H15NA3O9S |
| Molecular weight: | 536.4 g/mol |
| SMILES: | CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
chromoxane cyanin R chromoxane cyanine R erichrome cyanin R eriochrome cyanin R mordant blue 3 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2g | 试剂级，98% | 64 | RT | in stock | - |
| Kehua Intelligence | 5g | 试剂级，98% | 120 | RT | in stock | - |
| Kehua Intelligence | 25g | 试剂级，98% | 312 | 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-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
4.2 InChI
InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14+;;;
4.3 InChIKey
FFUMCSDSJNSMQH-HEXQVDJKSA-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=CC=CC=C3S(=O)(=O)[O-].[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=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+]
