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Substance Name: 3H-Indolium, 2,2'-(1,2-ethanediylbis(oxy-2,1-phenyleneimino-2,1-ethenediyl))bis(1,3,3-trimethyl-, thiocyanate (1:2)
RN: 120447-97-4
InChIKey: NJGDTXIOKCOKNI-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C40-H44-N4-O2.2C-N-S

Molecular Weight

  • 728.9816
 
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Names and Synonyms

Synonym

  • 2,2'-(Ethylenedioxybis(2-(o-phenylamino)ethenyl))bis(1,3,3-trimethyl-3H-indolium), dithiocyanate

Systematic Names

  • 3H-Indolium, 2,2'-(1,2-ethanediylbis(oxy-2,1-phenyleneimino-2,1-ethenediyl))bis(1,3,3-trimethyl-, dithiocyanate
  • 3H-Indolium, 2,2'-(1,2-ethanediylbis(oxy-2,1-phenyleneimino-2,1-ethenediyl))bis(1,3,3-trimethyl-, thiocyanate (1:2)

Registry Numbers

CAS Registry Number

  • 120447-97-4

System Generated Number

  • 0120447974

Molecular Formulas

Molecular Formula

  • C40-H44-N4-O2.2C-N-S

Molecular Formula Fragments

  • C-N-S
  • C40-H44-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C40H42N4O2.2CHNS/c1-39(2)29-15-7-11-19-33(29)43(5)37(39)23-25-41-31-17-9-13-21-35(31)45-27-28-46-36-22-14-10-18-32(36)42-26-24-38-40(3,4)30-16-8-12-20-34(30)44(38)6;2*2-1-3/h7-26H,27-28H2,1-6H3;2*3H

InChIKey

NJGDTXIOKCOKNI-UHFFFAOYSA-N

Smiles

C(COc1c(N/C=C/C2=[N+](c3c(C2(C)C)cccc3)C)cccc1)Oc1c(N/C=C/C2=[N+](c3c(C2(C)C)cccc3)C)cccc1.[S-]C#N.[S-]C#N