3,3′-Dipentyloxacarbocyanine iodide
CAS Registry Number®
53213-81-3
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CAS Name
3,3′-Dipentyloxacarbocyanine iodideMolecular Formula
C27H33N2O2.ICite this Page
3,3′-Dipentyloxacarbocyanine iodide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53213-81-3 (retrieved ) (CAS RN: 53213-81-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
InChIKey
InChIKey=CDLMLYASVIQVPH-UHFFFAOYSA-M
SMILES
C(CCCC)N1C=2C(OC1=CC=CC3=[N+](CCCCC)C=4C(O3)=CC=CC4)=CC=CC2.[I-]
Canonical SMILES
[I-].O1C=2C=CC=CC2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CCCCC)CCCCC
Other Names for this Substance
- Benzoxazolium, 3-pentyl-2-[3-(3-pentyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-, iodide (1:1)
- Benzoxazolium, 3-pentyl-2-[3-(3-pentyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide
- 3,3′-Dipentyloxacarbocyanine iodide
- NK 2453
- DiOC 5(3)
