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Substance Name: Methanaminium, N,N,N-trimethyl-, 6-amino-4-hydroxy-3-(2-(7-sulfo-4-(2-(4-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonate (4:1)
RN: 116340-05-7
InChIKey: PBWMUSNERLOZLT-IDOXDSHBSA-J

Classification Code

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

Molecular Formula

  • C26-H15-N5-O13-S4.4C4-H12-N

Molecular Weight

  • 1030.2737
 
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Names and Synonyms

Synonym

  • EC 405-170-3

Systematic Names

  • Methanaminium, N,N,N-trimethyl-, 6-amino-4-hydroxy-3-(2-(7-sulfo-4-(2-(4-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-2,7-naphthalenedisulfonate (4:1)
  • Methanaminium, N,N,N-trimethyl-, salt with 6-amino-4-hydroxy-3-((7-sulfo-4-((4-sulfophenyl)azo)-1-naphthalenyl)azo)-2,7-naphthalenedisulfonic acid (4:1)
  • Tetrakis(tetramethylammonium) 6-amino-4-hydroxy-3-(7-sulfonato-4-(4-sulfonatophenylazo)-1-naphthylazo)naphthalene-2,7-disulfonate

Registry Numbers

CAS Registry Number

  • 116340-05-7

System Generated Number

  • 0116340057

Molecular Formulas

Molecular Formula

  • C26-H15-N5-O13-S4.4C4-H12-N

Molecular Formula Fragments

  • C26-H15-N5-O13-S4
  • C4-H12-N
  • COMPONENT

Structure Descriptors

InChI

1S/C26H19N5O13S4.4C4H12N/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35;4*1-5(2,3)4/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);4*1-4H3/q;4*+1/p-4/b29-28+,31-30+;;;;

InChIKey

PBWMUSNERLOZLT-IDOXDSHBSA-J

Smiles

c1c(c(c(c2cc(c(cc12)S(=O)(=O)[O-])N)O)/N=N/c1ccc(c2ccc(cc12)S(=O)(=O)[O-])/N=N/c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-].[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C