3,3'-Diethylheptamethinethiacyanine iodide

Molecular Formula: C25H25IN2S2


InChI: InChI=1/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1/fC25H25N2S2.I/h;1h/qm;-1

InChIKey: InChIKey=OYVFJKVYVDYPFV-JRZSAQBTCH
SMILES: CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]

Names:
    Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2(3H)-benzothiazolylidene)-1,3,5-heptatrienyl)-, iodide
    Benzothiazolium, 3-ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)-, iodide
    BENZOTHIAZOLIUM, 3-ETHYL-2-(7-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)-1,3,5-HEPTATRIEN
    EINECS 221-342-9
    3,3'-Diethylheptamethinethiacyanine iodide
    3-Ethyl-2-(7-(3-ethyl-2-benzothiazolinylidene)-1,3,5-heptatrienyl)benzothiazolium iodide
    3-Ethyl-2-(7-(3-ethyl-3H-benzothiazol-2-ylidene)hepta-1,3,5-trienyl)benzothiazolium iodide
    3-ethyl-2-[(1E,3E,5E,7Z)-7-(3-ethylbenzothiazol-2-ylidene)hepta-1,3,5-trienyl]benzothiazole iodide
    3071-70-3
    51895-79-5
    89013-15-0

Registries:
    PubChem CID 9937256
    PubChem ID 161350