Sodium 5-Tert-Butyl-2-[[9,10-Dihydro-8-Hydroxy-4-(Isopropylamino)-9,10-Dioxoanthryl]Amino]Benzenesulphonate
[CAS# 83027-44-5]

Identification

• Name: Sodium 5-Tert-Butyl-2-[[9,10-Dihydro-8-Hydroxy-4-(Isopropylamino)-9,10-Dioxoanthryl]Amino]Benzenesulphonate
• Synonyms: Sodium 5-Tert-Butyl-2-[[8-Hydroxy-4-(Isopropylamino)-9,10-Dioxo-1-Anthryl]Amino]Benzenesulfonate; Sodium 5-Tert-Butyl-2-[[8-Hydroxy-4-(Isopropylamino)-9,10-Diketo-1-Anthryl]Amino]Benzenesulfonate; Benzenesulfonic Acid, 2-((9,10-Dihydro-8-Hydroxy-4-((1-Methylethyl)Amino)-9,10-Dioxo-1-Anthracenyl)Amino)-5-(1,1-Dimethylethyl)-, Monosodium Salt
• Molecular Formula: C₂₇H₂₇N₂NaO₆S
• Molecular Weight: 530.57
• CAS Registry Number: 83027-44-5
• EINECS: 280-147-7
• SMILES: C4=C(NC1=C([S]([O-])(=O)=O)C=C(C(C)(C)C)C=C1)C2=C(C(=O)C3=C(C2=O)C(=CC=C3)O)C(=C4)NC(C)C.[Na+]
• InChI: 1S/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);/q;+1/p-1
• InChIKey: YADQTBGQEQYFKY-UHFFFAOYSA-M