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Substance Name: Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, 4,4'-bis(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)(1,1'-biphenyl)-2,2'-disulfonate (2:1)
RN: 72927-78-7
InChIKey: IKJKODYNBGFEAQ-UUIOKUIJSA-N

Molecular Formula

  • C32-H24-N8-O8-S2.2C25-H30-N3

Molecular Weight

  • 1459.8
 
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Names and Synonyms

Synonyms

  • ((1,1'-Biphenyl)-2,2'-disulfonic acid, 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)), compd. with (methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-) (1:2)
  • EINECS 277-025-0

Systematic Names

  • Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, 4,4'-bis(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)(1,1'-biphenyl)-2,2'-disulfonate (2:1)
  • Methanaminium, N-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, salt with 4,4'-bis((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)(1,1'-biphenyl)-2,2'-disulfonic acid (2:1)

Registry Numbers

CAS Registry Number

  • 72927-78-7

System Generated Number

  • 0072927787

Molecular Formulas

Molecular Formula

  • C32-H24-N8-O8-S2.2C25-H30-N3

Molecular Formula Fragments

  • C25-H30-N3
  • C32-H24-N8-O8-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C32H26N8O8S2.2C25H30N3/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h3-18,29-30H,1-2H3,(H,43,44,45)(H,46,47,48);2*7-18H,1-6H3/q;2*+1/b35-33+,36-34+;;

InChIKey

IKJKODYNBGFEAQ-UUIOKUIJSA-N

Smiles

c1(c(cc(\N=N\[C@@H]2C(=NN(C2=O)c2ccccc2)C)cc1)S(=O)(=O)O)c1c(cc(cc1)\N=N\[C@@H]1C(=NN(C1=O)c1ccccc1)C)S(=O)(=O)O.[N+](\C)(C)=C1\C=C\C(C=C1)=C(/c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C.[N+](\C)(C)=C1\C=C\C(C=C1)=C(/c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C