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Substance Name: 3H-Indolium, 1-heptyl-2-(5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
RN: 123051-21-8
InChIKey: GSWDCBYOHNLQSG-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C39-H55-N2.C22-H24-B

Molecular Weight

  • 851.1201
 
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Names and Synonyms

Synonym

  • 1,1'-Di-n-heptyl-3,3,3',3'-tetramethylindodicarbocyanine triphenylbutylborate

Systematic Names

  • 3H-Indolium, 1-heptyl-2-(5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
  • 3H-Indolium, 1-heptyl-2-(5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadienyl)-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-)

Registry Numbers

CAS Registry Number

  • 123051-21-8

System Generated Number

  • 0123051218

Molecular Formulas

Molecular Formula

  • C39-H55-N2.C22-H24-B

Molecular Formula Fragments

  • C22-H24-B
  • C39-H55-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C39H55N2.C22H24B/c1-7-9-11-13-22-30-40-34-26-20-18-24-32(34)38(3,4)36(40)28-16-15-17-29-37-39(5,6)33-25-19-21-27-35(33)41(37)31-23-14-12-10-8-2;1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h15-21,24-29H,7-14,22-23,30-31H2,1-6H3;4-18H,2-3,19H2,1H3/q+1;-1

InChIKey

GSWDCBYOHNLQSG-UHFFFAOYSA-N

Smiles

[N+]1(=C(C(c2c1cccc2)(C)C)/C=C/C=C/C=C1/N(c2c(C1(C)C)cccc2)CCCCCCC)CCCCCCC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC