Indigotetrasulfonic Acid
[CAS# 6371-42-2]

Identification

• Name: Indigotetrasulfonic Acid
• Synonyms: Tetrasodium (2E)-3-Oxo-2-(3-Oxo-5,7-Disulfonato-Indolin-2-Ylidene)Indoline-5,7-Disulfonate; Tetrasodium (2E)-3-Oxo-2-(3-Oxo-5,7-Disulfonato-2-Indolinylidene)Indoline-5,7-Disulfonate; Tetrasodium (2E)-3-Keto-2-(3-Keto-5,7-Disulfonato-Indolin-2-Ylidene)Indoline-5,7-Disulfonate
• Molecular Formula: C₁₆H₆N₂Na₄O₁₄S₄
• Molecular Weight: 670.43
• CAS Registry Number: 6371-42-2
• SMILES: C1=C([S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)C2=C1C(=O)\C(N2)=C\3NC4=C(C3=O)C=C([S]([O-])(=O)=O)C=C4[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C16H10N2O14S4.4Na/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32;;;;/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;;/q;4*+1/p-4/b14-13+
• InChIKey: XAWXAATVFSHLBI-XURWPRCOSA-J