1. Primary Information
| English name: | Chicago Sky Blue 6B |
| CAS No.: | 2610-05-1 |
| Molecular formula: | C34H24N6NA4O16S4 |
| Molecular weight: | 992.8 g/mol |
| SMILES: | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
2,2'-(4,4'-(3,3'-bis(methoxy)biphenylenebis(azo))bis (8-amino-1-hydroxynaphthalene-5,7-disulfonic acid) tetrasodium salt) C.I. direct blue 1 Chicago Sky Blue Chicago sky blue 6B direct blue 1 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25g | BS，50%(HPLC) | 440 | RT | in stock | - |
| Kehua Intelligence | 100g | BS，50%(HPLC) | 1360 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
tetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
4.2 InChI
InChI=1S/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
4.3 InChIKey
BPHHNXJPFPEJOF-UHFFFAOYSA-J
4.4 Canonical SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
4.5 Isomeric SMILES
-
