1,1′-Dioctadecyl-3,3,3′,3′-tetramethylindocarbocyanine

CAS Registry Number®

40957-95-7

CAS Name

1,1′-Dioctadecyl-3,3,3′,3′-tetramethylindocarbocyanine

Molecular Formula

C59H97N2

Cite this Page

1,1′-Dioctadecyl-3,3,3′,3′-tetramethylindocarbocyanine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40957-95-7 (retrieved 2024-11-24) (CAS RN: 40957-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H97N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3/q+1

InChIKey

InChIKey=IJRJBQGVWNVZSA-UHFFFAOYSA-N

SMILES

C(CCCCCCCCCCCCCCCCC)N1C=2C(C(C)(C)C1=CC=CC3=[N+](CCCCCCCCCCCCCCCCCC)C=4C(C3(C)C)=CC=CC4)=CC=CC2

Canonical SMILES

C=1C=CC2=C(C1)N(C(=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)CCCCCCCCCCCCCCCCCC)C2(C)C)CCCCCCCCCCCCCCCCCC

Other Names for this Substance

  • 3H-Indolium, 2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-
  • 3H-Indolium, 2-[3-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-1-octadecyl-
  • 2-[3-(1,3-Dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propen-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium
  • S 27
  • S 27 (dye)

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CAS INSIGHTSTM
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