Trisodium 4-{[4-(6-methyl-2,6'-bi-1,3-benzothiazol-2'-yl)-2-sulfonatophenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
[CAS# 85631-91-0]

Identification

• Name: Trisodium 4-{[4-(6-methyl-2,6'-bi-1,3-benzothiazol-2'-yl)-2-sulfonatophenyl]diazenyl}-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
• Synonyms: trisodium 4,5-dihydro-4-[[4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-2-sulphonatophenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
• Molecular Formula: C₃₁H₁₇N₆Na₃O₉S₄
• Molecular Weight: 814.73
• CAS Registry Number: 85631-91-0
• EINECS: 288-041-2
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N7/N=C(/C([O-])=O)C(N=Nc2ccc(cc2S([O-])(=O)=O)c3nc4ccc(cc4s3)c5nc6ccc(C)cc6s5)C7=O
• InChI: 1S/C31H20N6O9S4.3Na/c1-15-2-9-20-23(12-15)47-28(32-20)16-3-10-21-24(13-16)48-29(33-21)17-4-11-22(25(14-17)50(44,45)46)34-35-26-27(31(39)40)36-37(30(26)38)18-5-7-19(8-6-18)49(41,42)43;;;/h2-14,26H,1H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3
• InChIKey: HRLVKRDNPLVQQM-UHFFFAOYSA-K