3-[[4-[[4-Chloro-6-[(3-Phosphonophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Amino]-7-[Ethyl[(3-Sulfophenyl)Methyl]Amino]-5-(4-Methoxy-3-Sulfophenyl)-Phenazinium Hydroxide Inner Salt Triammonium Salt
[CAS# 70851-44-4]

Identification

• Name: 3-[[4-[[4-Chloro-6-[(3-Phosphonophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Amino]-7-[Ethyl[(3-Sulfophenyl)Methyl]Amino]-5-(4-Methoxy-3-Sulfophenyl)-Phenazinium Hydroxide Inner Salt Triammonium Salt
• Synonyms: Triammonium 5-[3-[[4-[[4-Chloro-6-[[3-(Hydroxy-Oxido-Phosphoryl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Amino]-7-[Ethyl-[(3-Sulfonatophenyl)Methyl]Amino]Phenazin-5-Ium-5-Yl]-2-Methoxy-Benzenesulfonate; Triammonium 5-[3-[[4-[[4-Chloro-6-[[3-(Hydroxy-Oxidophosphoryl)Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Amino]-7-[Ethyl-[(3-Sulfonatophenyl)Methyl]Amino]-5-Phenazin-5-Iumyl]-2-Methoxybenzenesulfonate; Triammonium 5-[3-[[4-[[4-Chloro-6-[[3-(Hydroxy-Oxido-Phosphoryl)Phenyl]Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Amino]-7-[Ethyl-(3-Sulfonatobenzyl)Amino]Phenazin-5-Ium-5-Yl]-2-Methoxy-Benzenesulfonate
• Molecular Formula: C₄₃H₄₆ClN₁₂O₁₃PS₃
• Molecular Weight: 1101.52
• CAS Registry Number: 70851-44-4
• EINECS: 274-931-8
• SMILES: C2=C(N(CC1=CC=CC(=C1)[S]([O-])(=O)=O)CC)C=CC3=NC8=C([N+](=C23)C4=CC=C(OC)C(=C4)[S]([O-])(=O)=O)C=C(NC7=CC=C(NC5=NC(=NC(=N5)NC6=CC=CC(=C6)[P]([O-])(=O)O)Cl)C=C7[S]([O-])(=O)=O)C=C8.[NH4+].[NH4+].[NH4+]
• InChI: 1S/C43H37ClN9O13PS3.3H3N/c1-3-52(24-25-6-4-9-32(18-25)68(57,58)59)29-12-16-34-37(22-29)53(30-13-17-38(66-2)40(23-30)70(63,64)65)36-20-27(10-14-33(36)48-34)45-35-15-11-28(21-39(35)69(60,61)62)47-43-50-41(44)49-42(51-43)46-26-7-5-8-31(19-26)67(54,55)56;;;/h4-23H,3,24H2,1-2H3,(H7,46,47,48,49,50,51,54,55,56,57,58,59,60,61,62,63,64,65);3*1H3
• InChIKey: OQYJPNXEZSOWNS-UHFFFAOYSA-N