Trisodium 5-[[9,10-Dihydro-8-Hydroxy-4-[(1-Methylethyl)Amino]-9,10-Dioxo-7-Sulphonato-1-Anthryl]Amino]Toluene-2,4-Disulphonate
[CAS# 83006-71-7]

Identification

• Name: Trisodium 5-[[9,10-Dihydro-8-Hydroxy-4-[(1-Methylethyl)Amino]-9,10-Dioxo-7-Sulphonato-1-Anthryl]Amino]Toluene-2,4-Disulphonate
• Synonyms: Trisodium 4-[[8-Hydroxy-4-(Isopropylamino)-9,10-Dioxo-7-Sulfonato-1-Anthryl]Amino]-6-Methyl-Benzene-1,3-Disulfonate; Trisodium 4-[[8-Hydroxy-4-(Isopropylamino)-9,10-Dioxo-7-Sulfonato-1-Anthryl]Amino]-6-Methylbenzene-1,3-Disulfonate; Trisodium 4-[[8-Hydroxy-4-(Isopropylamino)-9,10-Diketo-7-Sulfonato-1-Anthryl]Amino]-6-Methyl-Benzene-1,3-Disulfonate
• Molecular Formula: C₂₄H₁₉N₂Na₃O₁₂S₃
• Molecular Weight: 692.57
• CAS Registry Number: 83006-71-7
• EINECS: 280-121-5
• SMILES: C1=CC(=C(O)C2=C1C(=O)C3=C(C2=O)C(=CC=C3NC(C)C)NC4=CC(=C([S]([O-])(=O)=O)C=C4[S]([O-])(=O)=O)C)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C24H22N2O12S3.3Na/c1-10(2)25-13-5-6-14(26-15-8-11(3)17(40(33,34)35)9-18(15)41(36,37)38)21-20(13)22(27)12-4-7-16(39(30,31)32)23(28)19(12)24(21)29;;;/h4-10,25-26,28H,1-3H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3
• InChIKey: YLTPVZFXOWMUGN-UHFFFAOYSA-K