Trisodium 5,8-Bis[(2,6-Diethyl-4-Methyl-3-Sulphonatophenyl)Amino]-9,10-Dihydro-1,4-Dihydroxy-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 83027-38-7]

Identification

• Name: Trisodium 5,8-Bis[(2,6-Diethyl-4-Methyl-3-Sulphonatophenyl)Amino]-9,10-Dihydro-1,4-Dihydroxy-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Trisodium 5,8-Bis[(2,6-Diethyl-4-Methyl-3-Sulfonato-Phenyl)Amino]-1,4-Dihydroxy-9,10-Dioxo-Anthracene-2-Sulfonate; Trisodium 5,8-Bis[(2,6-Diethyl-4-Methyl-3-Sulfonatophenyl)Amino]-1,4-Dihydroxy-9,10-Dioxo-2-Anthracenesulfonate; Trisodium 5,8-Bis[(2,6-Diethyl-4-Methyl-3-Sulfonato-Phenyl)Amino]-1,4-Dihydroxy-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₃₆H₃₅N₂Na₃O₁₃S₃
• Molecular Weight: 868.83
• CAS Registry Number: 83027-38-7
• EINECS: 280-140-9
• SMILES: C5=C(O)C1=C(C(=O)C2=C(C1=O)C(=CC=C2NC3=C(C(=C(C=C3CC)C)[S]([O-])(=O)=O)CC)NC4=C(C=C(C(=C4CC)[S]([O-])(=O)=O)C)CC)C(=C5[S]([O-])(=O)=O)O.[Na+].[Na+].[Na+]
• InChI: 1S/C36H38N2O13S3.3Na/c1-7-18-13-16(5)35(53(46,47)48)20(9-3)30(18)37-22-11-12-23(38-31-19(8-2)14-17(6)36(21(31)10-4)54(49,50)51)27-26(22)33(41)28-24(39)15-25(52(43,44)45)32(40)29(28)34(27)42;;;/h11-15,37-40H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3
• InChIKey: GWRVNGCWBZYRAZ-UHFFFAOYSA-K