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Substance Name: Methanaminium, N-(4-(amino(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, dodecyl(sulfophenoxy)benzenesulfonate (2:1)
RN: 63428-09-1
InChIKey: KWHJNKGVHSONIP-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C24-H32-O7-S2.2C17-H22-N3

Molecular Weight

  • 1033.4054
 
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Names and Synonyms

  • Methanaminium, N-(4-(amino(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, dodecyl(sulfophenoxy)benzenesulfonate (2:1)
  • Methanaminium, N-(4-(amino(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, salt with dodecyl(sulfophenoxy)benzenesulfonic acid (2:1)

Registry Numbers

CAS Registry Number

  • 63428-09-1

System Generated Number

  • 0063428091

Molecular Formulas

Molecular Formula

  • C24-H32-O7-S2.2C17-H22-N3

Molecular Formula Fragments

  • C17-H22-N3
  • C24-H32-O7-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H34O7S2.2C17H21N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(33(28,29)30)24(20)31-21-17-12-13-18-22(21)32(25,26)27;2*1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);2*5-12,18H,1-4H3

InChIKey

KWHJNKGVHSONIP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCc1cccc(c1Oc2ccccc2S(=O)(=O)[O-])S(=O)(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)N.CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)N