5,5’-Indigodisulfonic Acid Disodium Salt (85percent) - CAS 860-22-0

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Catalog Number: R040218

CAS Number: 860-22-0

PubChem Substance ID:355128169

Molecular Formula: C16H8N2Na2O8S2

Molecular Weight:466.346

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

• 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

Property

• Molecular Formula: C16H8N2Na2O8S2
• Molecular Weight: 466.346
• Purity: ≥95%
• Storage: -20°C

Computed Descriptor

• 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+]