9-(4-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-3-[2-(2-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-5-Methylphenoxy)Ethoxy]Phenyl)-6-(Dimethylamino)-N,N-Dimethyl-3H-Xanthen-3-Iminium Bromide
[CAS# 145037-81-6]

Identification

• Name: 9-(4-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-3-[2-(2-{Bis[2-(Acetoxymethoxy)-2-Oxoethyl]Amino}-5-Methylphenoxy)Ethoxy]Phenyl)-6-(Dimethylamino)-N,N-Dimethyl-3H-Xanthen-3-Iminium Bromide
• Synonyms: N-[9-(4-[bis(2-{[(acetyloxy)methyl]oxy}-2-oxoethyl)amino]-3-{[2-({2-[bis(2-{[(acetyloxy)methyl]oxy}-2-oxoethyl)amino]-5-methylphenyl}oxy)ethyl]oxy}phenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium bromide; N-[9-(4-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium bromide; N-{9-[4-(bis{2-[(acetyloxy)methoxy]-2-oxoethyl}amino)-3-{2-[2-(bis{2-[(acetyloxy)methoxy]-2-oxoethyl}amino)-5-methylphenoxy]ethoxy}phenyl]-6-(dimethylamino)-3H-xanthen-3-ylidene}-N-methylmethanaminium bromide
• Molecular Formula: C₅₂H₅₉BrN₄O₁₉
• Molecular Weight: 1123.94
• CAS Registry Number: 145037-81-6
• SMILES: CC1=CC(=C(C=C1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCCOC2=C(C=CC(=C2)C3=C4C=CC(=[N+](C)C)C=C4OC5=C3C=CC(=C5)N(C)C)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C.[Br-]
• InChI: 1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52;/h10-17,20-23H,18-19,24-31H2,1-9H3;1H/q+1;/p-1
• InChIKey: RWXWZOWDWYQKBK-UHFFFAOYSA-M

Properties

• Refractive index: (Cal.)