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Substance Name: 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)
RN: 68957-48-2
InChIKey: DFMRHUKKUZLDMN-UHFFFAOYSA-L

Molecular Formula

  • C23-H26-N3.1/2C10-H6-O6-S2

Molecular Weight

  • 975.242
 
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Names and Synonyms

Synonym

  • 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)

Systematic Name

  • 3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 68957-48-2

System Generated Number

  • 0068957482

Molecular Formulas

Molecular Formula

  • C23-H26-N3.1/2C10-H6-O6-S2

Molecular Formula Fragments

  • C10-H6-O6-S2
  • C23-H26-N3
  • COMPONENT

Structure Descriptors

InChI

1S/2C23H26N3.C10H8O6S2/c2*1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*5-6,8-15H,7,17H2,1-4H3;1-6H,(H,11,12,13)(H,14,15,16)/q2*+1;/p-2

InChIKey

DFMRHUKKUZLDMN-UHFFFAOYSA-L

Smiles

[N+]1(C)=C(C(C)(C)c2ccccc12)\C=C\c1ccc(cc1)N(CCC#N)C.c1ccc2c(cccc2c1S([O-])(=O)=O)S([O-])(=O)=O.[N+]1(=C(C(c2c1cccc2)(C)C)\C=C\c1ccc(cc1)N(CCC#N)C)C