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Substance Name: Methanaminium, N,N,N-trimethyl-, salt with 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)-2,7-naphthalenedisulfonic acid) (6:1)
RN: 124537-30-0
InChIKey: OXIUIKRGOULOHT-XCOJKCHJSA-H

Molecular Formula

  • C60-H46-N16-O22-S6.6C4-H12-N

Molecular Weight

  • 1980.3842
 
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Names and Synonyms

Synonym

  • EC 405-160-9

Systematic Names

  • Hexakis(tetramethylammonium) 4,4'-vinylenebis((3-sulfonato-4,1-phenylene)imino(6-morpholin-4-yl-1,3,5-triazine-4,2-diyl)imino)bis(5-hydroxy-6-phenylazonaphthalene-2,7-disulfonate)
  • Methanaminium, N,N,N-trimethyl-, salt with 4,4'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(phenylazo)-2,7-naphthalenedisulfonic acid) (6:1)

Registry Numbers

CAS Registry Number

  • 124537-30-0

System Generated Number

  • 0124537300

Molecular Formulas

Molecular Formula

  • C60-H46-N16-O22-S6.6C4-H12-N

Molecular Formula Fragments

  • C4-H12-N
  • C60-H46-N16-O22-S6
  • COMPONENT

Structure Descriptors

InChI

1S/C60H52N16O22S6.6C4H12N/c77-53-49-35(27-47(103(91,92)93)51(53)73-71-37-7-3-1-4-8-37)25-41(99(79,80)81)31-43(49)63-57-65-55(67-59(69-57)75-17-21-97-22-18-75)61-39-15-13-33(45(29-39)101(85,86)87)11-12-34-14-16-40(30-46(34)102(88,89)90)62-56-66-58(70-60(68-56)76-19-23-98-24-20-76)64-44-32-42(100(82,83)84)26-36-28-48(104(94,95)96)52(54(78)50(36)44)74-72-38-9-5-2-6-10-38;6*1-5(2,3)4/h1-16,25-32,77-78H,17-24H2,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,61,63,65,67,69)(H2,62,64,66,68,70);6*1-4H3/q;6*+1/p-6/b12-11+,73-71+,74-72+;;;;;;

InChIKey

OXIUIKRGOULOHT-XCOJKCHJSA-H

Smiles

C(=C\c1c(cc(Nc2nc(Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c3ccccc3)O)S(=O)(=O)[O-])nc(n2)N2CCOCC2)cc1)S(=O)(=O)[O-])/c1c(cc(Nc2nc(Nc3cc(cc4c3c(c(c(c4)S(=O)(=O)[O-])/N=N/c3ccccc3)O)S(=O)(=O)[O-])nc(n2)N2CCOCC2)cc1)S(=O)(=O)[O-].[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C