3-({4,6-Bis[(4-{(E)-[8-({4,6-Bis[(2-Aminopropyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-1-Hydroxy-3,6-Disulfo-2-Naphthyl]Diazenyl}Phenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-N,N-Diethyl-1-Propanaminium 2-Hydroxy Propanoate
[CAS# 178452-66-9]

Identification

• Name: 3-({4,6-Bis[(4-{(E)-[8-({4,6-Bis[(2-Aminopropyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-1-Hydroxy-3,6-Disulfo-2-Naphthyl]Diazenyl}Phenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)-N,N-Diethyl-1-Propanaminium 2-Hydroxy Propanoate
• Synonyms: 2-Hydroxypropanoate de 3-({4,6-bis[(4-{(E)-[8-({4,6-bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfo-2-naphtyl]diazényl}phényl)amino]-1,3,5-triazin-2-yl}amino)-N,N-diéthyl-1-p ropanaminium; 3-({4,6-Bis[(4-{(E)-[8-({4,6-bis[(2-aminopropyl)amino]-1,3,5-triazin-2-yl}amino)-1-hydroxy-3,6-disulfo-2-naphthyl]diazenyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)-N,N-diethyl-1-propanaminium 2-hydroxy propanoate
• Molecular Formula: C₆₃H₈₃N₂₇O₁₇S₄
• Molecular Weight: 1618.76
• CAS Registry Number: 178452-66-9
• SMILES: CC[NH+](CCCNc1nc(nc(n1)Nc2ccc(cc2)/N=N/c3c(c4c(cc(cc4cc3S(=O)(=O)O)S(=O)(=O)O)Nc5nc(nc(n5)NCC(N)C)NCC(N)C)O)Nc6ccc(cc6)/N=N/c7c(c8c(cc(cc8cc7S(=O)(=O)O)S(=O)(=O)O)Nc9nc(nc(n9)NCC(N)C)NCC(N)C)O)CC.CC(O)C(=O)[O-]
• InChI: 1S/C60H77N27O14S4.C3H6O3/c1-7-87(8-2)19-9-18-65-52-76-57(70-36-10-14-38(15-11-36)83-85-48-44(104(96,97)98)22-34-20-40(102(90,91)92)24-42(46(34)50(48)88)72-59-78-53(66-26-30(3)61)74-54(79-59)67-27-31(4)62)82-58(77-52)71-37-12-16-39(17-13-37)84-86-49-45(105(99,100)101)23-35-21-41(103(93,94)95)25-43(47(35)51(49)89)73-60-80-55(68-28-32(5)63)75-56(81-60)69-29-33(6)64;1-2(4)3(5)6/h10-17,20-25,30-33,88-89H,7-9,18-19,26-29,61-64H2,1-6H3,(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H3,65,70,71,76,77,82)(H3,66,67,72,74,78,79)(H3,68,69,73,75,80,81);2,4H,1H3,(H,5,6)/b85-83+,86-84+
• InChIKey: PQKUZJNOANDNSP-JWNSCMLRSA-N

Properties

• Refractive index: (Cal.)