Benzothiazolium, 3-octyl-2-[3-(3-octyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Registry Number®
53213-89-1
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CAS Name
Benzothiazolium, 3-octyl-2-[3-(3-octyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)Molecular Formula
C33H45N2S2.ICite this Page
Benzothiazolium, 3-octyl-2-[3-(3-octyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53213-89-1 (retrieved ) (CAS RN: 53213-89-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H45N2S2.HI/c1-3-5-7-9-11-17-26-34-28-20-13-15-22-30(28)36-32(34)24-19-25-33-35(27-18-12-10-8-6-4-2)29-21-14-16-23-31(29)37-33;/h13-16,19-25H,3-12,17-18,26-27H2,1-2H3;1H/q+1;/p-1
InChIKey
InChIKey=MYIUORMVYDSCRZ-UHFFFAOYSA-M
SMILES
C(CCCCCCC)N1C=2C(SC1=CC=CC3=[N+](CCCCCCCC)C=4C(S3)=CC=CC4)=CC=CC2.[I-]
Canonical SMILES
[I-].S1C=2C=CC=CC2N(C1=CC=CC=3SC=4C=CC=CC4[N+]3CCCCCCCC)CCCCCCCC
Other Names for this Substance
- Benzothiazolium, 3-octyl-2-[3-(3-octyl-2(3H)-benzothiazolylidene)-1-propen-1-yl]-, iodide (1:1)
- Benzothiazolium, 3-octyl-2-[3-(3-octyl-2(3H)-benzothiazolylidene)-1-propenyl]-, iodide
