Disodium 2'-[4-[[2,6-Dihydroxy-3-[(4-Sulphonatophenyl)Azo]Phenyl]Azo]Phenyl]-6-Methyl[2,6'-Bibenzothiazole]-7-Sulphonate
[CAS# 6104-53-6]

Identification

• Name: Disodium 2'-[4-[[2,6-Dihydroxy-3-[(4-Sulphonatophenyl)Azo]Phenyl]Azo]Phenyl]-6-Methyl[2,6'-Bibenzothiazole]-7-Sulphonate
• Synonyms: Disodium 2-[2-[4-[(N'e)-N'-[(5E)-2,6-Dioxo-5-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohex-3-Enylidene]Hydrazino]Phenyl]-1,3-Benzothiazol-6-Yl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Disodium 2-[2-[4-[(N'e)-N'-[(5E)-2,6-Diketo-5-[(4-Sulfonatophenyl)Hydrazono]-1-Cyclohex-3-Enylidene]Hydrazino]Phenyl]-1,3-Benzothiazol-6-Yl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Disodium 2'-(4-((2,6-Dihydroxy-3-((4-Sulphonatophenyl)Azo)Phenyl)Azo)Phenyl)-6-Methyl(2,6'-Bibenzothiazole)-7-Sulphonate
• Molecular Formula: C₃₃H₂₀N₆Na₂O₈S₄
• Molecular Weight: 802.78
• CAS Registry Number: 6104-53-6
• EINECS: 228-056-3
• SMILES: C1=CC(=C([S]([O-])(=O)=O)C2=C1N=C(S2)C7=CC3=C(N=C(S3)C6=CC=C(N\N=C5\C(=O)/C(=N/NC4=CC=C([S]([O-])(=O)=O)C=C4)C=CC5=O)C=C6)C=C7)C.[Na+].[Na+]
• InChI: 1S/C33H22N6O8S4.2Na/c1-17-2-12-25-30(31(17)51(45,46)47)49-33(35-25)19-5-13-23-27(16-19)48-32(34-23)18-3-6-20(7-4-18)37-39-28-26(40)15-14-24(29(28)41)38-36-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,36-37H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2/b38-24+,39-28+
• InChIKey: XRGSILBDZAUETQ-FDMMVAMISA-L