Catalog Number:
AG0024LI
Chemical Name:
Benzothiazolium, 3-butyl-2-[3-(3-butyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, iodide (1:1)
CAS Number:
17636-07-6
Molecular Formula:
C26H31IN2S2
Molecular Weight:
562.5722
IUPAC Name:
(2Z)-3-butyl-2-[(E)-3-(3-butyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C26H31N2S2.HI/c1-4-6-16-27-21-12-8-10-14-23(21)29-25(27)18-20(3)19-26-28(17-7-5-2)22-13-9-11-15-24(22)30-26;/h8-15,18-19H,4-7,16-17H2,1-3H3;1H/q+1;/p-1
InChI Key:
VLCSOWYEIVLPQL-UHFFFAOYSA-M
SMILES:
CCCC[n+]1c(C=C(C=c2sc3c(n2CCCC)cccc3)C)sc2c1cccc2.[I-]
EC Number:
241-619-8