Disodium 2-[6-(6-Methyl-7-Sulphonatobenzothiazol-2-Yl)-2-Quinolyl]-1,3-Dioxoindan-5-Carboxylate
[CAS# 16249-87-9]

Identification

• Name: Disodium 2-[6-(6-Methyl-7-Sulphonatobenzothiazol-2-Yl)-2-Quinolyl]-1,3-Dioxoindan-5-Carboxylate
• Synonyms: Disodium 2-[6-(6-Methyl-7-Sulfonato-1,3-Benzothiazol-2-Yl)-2-Quinolyl]-1,3-Dioxo-Indane-5-Carboxylate; Disodium 2-[6-(6-Methyl-7-Sulfonato-1,3-Benzothiazol-2-Yl)-2-Quinolyl]-1,3-Dioxo-5-Indanecarboxylate; Disodium 1,3-Diketo-2-[6-(6-Methyl-7-Sulfonato-1,3-Benzothiazol-2-Yl)-2-Quinolyl]Indane-5-Carboxylate
• Molecular Formula: C₂₇H₁₄N₂Na₂O₇S₂
• Molecular Weight: 588.52
• CAS Registry Number: 16249-87-9
• EINECS: 240-361-3
• SMILES: C1=C(C=CC2=C1C(=O)C(C2=O)C6=NC5=C(C=C(C3=NC4=C(S3)C(=C(C=C4)C)[S]([O-])(=O)=O)C=C5)C=C6)C([O-])=O.[Na+].[Na+]
• InChI: 1S/C27H16N2O7S2.2Na/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2
• InChIKey: OUZJHSOHERXFRU-UHFFFAOYSA-L