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Substance Name: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, salt with 5-((3,3'-dichloro-4'-((2-hydroxy-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-6-hydroxy-2-naphthalenesulfonic acid (1:1)
RN: 87553-68-2
InChIKey: JIGBCJYLCLOPSO-MGCRHYSWSA-M

Molecular Formula

  • C38-H80-N.C32-H19-Cl2-N4-O5-S

Molecular Weight

  • 1193.5541
 
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Names and Synonyms

  • 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, salt with 5-((3,3'-dichloro-4'-((2-hydroxy-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-6-hydroxy-2-naphthalenesulfonic acid (1:1)

Registry Numbers

CAS Registry Number

  • 87553-68-2

System Generated Number

  • 0087553682

Molecular Formulas

Molecular Formula

  • C38-H80-N.C32-H19-Cl2-N4-O5-S

Molecular Formula Fragments

  • C32-H19-Cl2-N4-O5-S
  • C38-H80-N
  • COMPONENT

Structure Descriptors

InChI

1S/C38H80N.C32H20Cl2N4O5S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;33-25-16-19(5-11-27(25)35-37-31-23-4-2-1-3-18(23)7-13-29(31)39)20-6-12-28(26(34)17-20)36-38-32-24-10-9-22(44(41,42)43)15-21(24)8-14-30(32)40/h5-38H2,1-4H3;1-17,39-40H,(H,41,42,43)/q+1;/p-1/b;37-35+,38-36+

InChIKey

JIGBCJYLCLOPSO-MGCRHYSWSA-M

Smiles

C(CCCCCCCCCCCCCCCC)C[N+](CCCCCCCCCCCCCCCCCC)(C)C.S(=O)(=O)(c1cc2c(c(/N=N/c3c(cc(c4cc(c(/N=N/c5c6c(ccc5O)cccc6)cc4)Cl)cc3)Cl)c(cc2)O)cc1)[O-]