2-[(E)-2-(1,3-BENZODIOXOL-5-YL)VINYL]-3-BUTYL-1,3-BENZOTHIAZOL-3-IUM IODIDE

CAS No.
CCD No.
CCD01406521
Formula
C20 H20 N O2 S . I
MolWeight
465.349

Basic Information

Product Name: 2-[(E)-2-(1,3-BENZODIOXOL-5-YL)VINYL]-3-BUTYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
English Synonyms: 2-[(E)-2-(1,3-BENZODIOXOL-5-YL)VINYL]-3-BUTYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
MDL Number.: MFCD12033589
H bond acceptor: 3
H bond donor: 0
Smile: CCCC[n+]1c2ccccc2sc1/C=C/c3ccc4c(c3)OCO4.[I-]
InChi: InChI=1S/C20H20NO2S.HI/c1-2-3-12-21-16-6-4-5-7-19(16)24-20(21)11-9-15-8-10-17-18(13-15)23-14-22-17;/h4-11,13H,2-3,12,14H2,1H3;1H/q+1;/p-1/b11-9+;
InChiKey: InChIKey=NKRKFVKGPWXQTP-LBEJWNQZSA-M

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