Potassium Sodium 2-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]Cyclohexyl]Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
[CAS# 72987-16-7]

Identification

• Name: Potassium Sodium 2-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonatoanthracen-1-Yl)Amino]Cyclohexyl]Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Synonyms: Potassium Sodium 2-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-1-Anthryl)Amino]Cyclohexyl]Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Potassium Sodium 2-[[4-[[4-[(4-Amino-9,10-Diketo-3-Sulfonato-1-Anthryl)Amino]Cyclohexyl]Amino]-6-Fluoro-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Potassium Sodium 2-[[4-[[4-[(4-Amino-9,10-Dioxo-3-Sulfonato-Anthracen-1-Yl)Amino]Cyclohexyl]Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Molecular Formula: C₂₉H₂₃FKN₇NaO₁₁S₃
• Molecular Weight: 822.81
• CAS Registry Number: 72987-16-7
• EINECS: 277-179-9
• SMILES: C1=C([S]([O-])(=O)=O)C(=C5C(=C1NC4CCC(NC2=NC(=NC(=N2)NC3=CC(=CC=C3[S]([O-])(=O)=O)[S]([O-])(=O)=O)F)CC4)C(=O)C6=C(C5=O)C=CC=C6)N.[Na+].[K+]
• InChI: 1S/C29H26FN7O11S3.K.Na/c30-27-35-28(37-29(36-27)34-18-11-15(49(40,41)42)9-10-20(18)50(43,44)45)33-14-7-5-13(6-8-14)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39;;/h1-4,9-14,32H,5-8,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;/q;2*+1/p-3
• InChIKey: GAMLGDIDSXFYEU-UHFFFAOYSA-K