3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-, perchlorate (1:1)
CAS Registry Number®
127274-91-3
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CAS Name
3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-, perchlorate (1:1)Molecular Formula
C61H99N2.ClO4Cite this Page
3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-, perchlorate (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=127274-91-3 (retrieved ) (CAS RN: 127274-91-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C61H99N2.ClHO4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-52-62-56-48-42-40-46-54(56)60(3,4)58(62)50-38-37-39-51-59-61(5,6)55-47-41-43-49-57(55)63(59)53-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;2-1(3,4)5/h37-43,46-51H,7-36,44-45,52-53H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
InChIKey=ZQSBJPAQPRVNHU-UHFFFAOYSA-M
SMILES
C(CCCCCCCCCCCCCCCCC)N1C=2C(C(C)(C)C1=CC=CC=CC3=[N+](CCCCCCCCCCCCCCCCCC)C=4C(C3(C)C)=CC=CC4)=CC=CC2.Cl(=O)(=O)(=O)[O-]
Canonical SMILES
O=Cl(=O)(=O)[O-].C(=CC=C1N(C=2C=CC=CC2C1(C)C)CCCCCCCCCCCCCCCCCC)C=CC3=[N+](C=4C=CC=CC4C3(C)C)CCCCCCCCCCCCCCCCCC
Other Names for this Substance
- 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-octadecyl-, perchlorate (1:1)
- 3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1,3-pentadienyl]-3,3-dimethyl-1-octadecyl-, perchlorate
- 1,1′-Dioctadecyl-3,3,3′,3′-tetramethylindodicarbocyanine perchlorate
- DiD
- DiIC18(5)
