Trisodium 5,8-Bis[[4-(1,1-Dimethylethyl)-2-Sulphonatophenyl]Amino]-9,10-Dihydro-1,4-Dihydroxy-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 83006-69-3]

Identification

• Name: Trisodium 5,8-Bis[[4-(1,1-Dimethylethyl)-2-Sulphonatophenyl]Amino]-9,10-Dihydro-1,4-Dihydroxy-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 5,8-Bis[(4-Tert-Butyl-2-Sulfonato-Phenyl)Amino]-1,4-Dihydroxy-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 5,8-Bis[(4-Tert-Butyl-2-Sulfonatophenyl)Amino]-1,4-Dihydroxy-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 5,8-Bis[(4-Tert-Butyl-2-Sulfonato-Phenyl)Amino]-1,4-Dihydroxy-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₄H₃₁N₂Na₃O₁₃S₃
• Molecular Weight: 840.77
• CAS Registry Number: 83006-69-3
• EINECS: 280-118-9
• SMILES: C5=C(O)C1=C(C(=O)C2=C(C1=O)C(=CC=C2NC3=C([S]([O-])(=O)=O)C=C(C=C3)C(C)(C)C)NC4=CC=C(C=C4[S]([O-])(=O)=O)C(C)(C)C)C(=C5[S]([O-])(=O)=O)O.[Na+].[Na+].[Na+]
• InChI: 1S/C34H34N2O13S3.3Na/c1-33(2,3)16-7-9-18(23(13-16)50(41,42)43)35-20-11-12-21(36-19-10-8-17(34(4,5)6)14-24(19)51(44,45)46)27-26(20)31(39)28-22(37)15-25(52(47,48)49)30(38)29(28)32(27)40;;;/h7-15,35-38H,1-6H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3
• InChIKey: CUPNGHZDSXEEBW-UHFFFAOYSA-K