| Catalog Number | R040218 |
| CAS Number | 860-22-0 |
| Synonyms | 2-(1,3-Dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-1H-Indole-5-sulfonic Acid; C.I. Acid Blue 74 (6CI); [Δ2,2’-Biindoline]-5,5’-disulfonic Acid, 3,3’-dioxo-, disodium Salt (8CI); 12070 Blue; 1311 Blue; 5,5’-Indigodisulfonic Acid Disodi |
| Molecular Formula | C16H8N2Na2O8S2 |
| Purity | 95% |
| Storage | -20°C |
| IUPAC Name | disodium;(2E)-3-oxo-2-(3-oxo-5-sulfonato-1H-indol-2-ylidene)-1H-indole-5-sulfonate |
| InChI | InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;; |
| InChIKey | KHLVKKOJDHCJMG-QDBORUFSSA-L |
| SMILES | C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)C(=C3C(=O)C4=C(N3)C=CC(=C4)S(=O)(=O)[O-])N2.[Na+].[Na+] |
