Disodium 8-[[4-(1,1-Dimethylethyl)-2-Sulphonatophenyl]Amino]-9,10-Dihydro-1-Hydroxy-5-[(1-Methylethyl)Amino]-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 83027-45-6]

Identification

• Name: Disodium 8-[[4-(1,1-Dimethylethyl)-2-Sulphonatophenyl]Amino]-9,10-Dihydro-1-Hydroxy-5-[(1-Methylethyl)Amino]-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Disodium 8-[(4-Tert-Butyl-2-Sulfonato-Phenyl)Amino]-1-Hydroxy-5-(Isopropylamino)-9,10-Dioxo-Anthracene-2-Sulfonate; Disodium 8-[(4-Tert-Butyl-2-Sulfonatophenyl)Amino]-1-Hydroxy-5-(Isopropylamino)-9,10-Dioxo-2-Anthracenesulfonate; Disodium 8-[(4-Tert-Butyl-2-Sulfonato-Phenyl)Amino]-1-Hydroxy-5-(Isopropylamino)-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₇H₂₆N₂Na₂O₉S₂
• Molecular Weight: 632.61
• CAS Registry Number: 83027-45-6
• EINECS: 280-148-2
• SMILES: C1=C2C(=C(O)C(=C1)[S]([O-])(=O)=O)C(=O)C3=C(C2=O)C(=CC=C3NC4=CC=C(C=C4[S]([O-])(=O)=O)C(C)(C)C)NC(C)C.[Na+].[Na+]
• InChI: 1S/C27H28N2O9S2.2Na/c1-13(2)28-17-9-10-18(29-16-8-6-14(27(3,4)5)12-20(16)40(36,37)38)23-22(17)24(30)15-7-11-19(39(33,34)35)25(31)21(15)26(23)32;;/h6-13,28-29,31H,1-5H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2
• InChIKey: FSNNTIUWZWTFTK-UHFFFAOYSA-L