2-hydroxypropanoic acid; N2,N4,N6-tris[3-[[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amino]phenyl]-1,3,5-triazine-2,4,6-triamine
[CAS# 88949-19-3]

Identification

• Name: 2-hydroxypropanoic acid; N2,N4,N6-tris[3-[[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)vinyl]amino]phenyl]-1,3,5-triazine-2,4,6-triamine
• Synonyms: 3H-Indolium, 2,2',2''-(1,3,5-triazine-2,4,6-triyltris(imino-4,1-phenyleneimino-2,1-ethenediyl))tris(1,3,3-trimethyl-, salt with 2-hydroxypropanoicacid (1:3)
• Molecular Formula: C₆₉H₈₁N₁₂O₉
• Molecular Weight: 1222.45
• CAS Registry Number: 88949-19-3
• EINECS: 289-454-0
• SMILES: O=C(O)C(O)C.O=C(O)C(O)C.O=C(O)C(O)C.n1c(nc(nc1Nc4cccc(N\C=C\C3=[N+](\c2ccccc2C3(C)C)C)c4)Nc7cc(N\C=C\C6=[N+](\c5ccccc5C6(C)C)C)ccc7)Nc%10cccc(N\C=C\C9=[N+](\c8ccccc8C9(C)C)C)c%10
• InChI: 1S/C60H60N12.3C3H6O3/c1-58(2)46-25-10-13-28-49(46)70(7)52(58)31-34-61-40-19-16-22-43(37-40)64-55-67-56(65-44-23-17-20-41(38-44)62-35-32-53-59(3,4)47-26-11-14-29-50(47)71(53)8)69-57(68-55)66-45-24-18-21-42(39-45)63-36-33-54-60(5,6)48-27-12-15-30-51(48)72(54)9;3*1-2(4)3(5)6/h10-39H,1-9H3,(H3,64,65,66,67,68,69);3*2,4H,1H3,(H,5,6)/p+3
• InChIKey: CHHXQDDWUYIFDM-UHFFFAOYSA-Q