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Substance Name: 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-, 2-hydroxypropanoate (1:3)
RN: 88949-19-3
InChIKey: CHHXQDDWUYIFDM-UHFFFAOYSA-Q

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C60-H63-N12.3C3-H5-O3

Molecular Weight

  • 1222.47
 
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Names and Synonyms

Synonym

  • EINECS 289-454-0

Systematic Names

  • 2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(imino-4,1-phenyleneiminovinylene))tris(1,3,3-trimethyl-3H-indolium) trilactate
  • 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-, 2-hydroxypropanoate (1:3)
  • 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-hydroxypropanoic acid (1:3)

Registry Numbers

CAS Registry Number

  • 88949-19-3

System Generated Number

  • 0088949193

Molecular Formulas

Molecular Formula

  • C60-H63-N12.3C3-H5-O3

Molecular Formula Fragments

  • C3-H5-O3
  • C60-H63-N12
  • COMPONENT

Structure Descriptors

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

Smiles

C(=O)(O)[C@@H](C)O.c1c2c(ccc1)[N+](=C(C2(C)C)\C=C\Nc1cc(ccc1)Nc1nc(Nc2cc(N\C=C\C=3C(c4ccccc4[N+]3C)(C)C)ccc2)nc(n1)Nc1cc(N\C=C\C=2C(c3ccccc3[N+]2C)(C)C)ccc1)C.C(=O)(O)[C@@H](C)O.C(=O)(O)[C@@H](C)O