3-(2-HYDROXYETHYL)-2-[2-(2-HYDROXYETHYL)-1-BUTENYL]-5-METHYLBENZOTHIAZOLIUM PERCHLORATE

CAS No.
CCD No.
CCD00783499
Formula
C16 H22 N O2 S . Cl O4
MolWeight
391.87

Basic Information

Product Name: 3-(2-HYDROXYETHYL)-2-[2-(2-HYDROXYETHYL)-1-BUTENYL]-5-METHYLBENZOTHIAZOLIUM PERCHLORATE
English Synonyms: 3-(2-HYDROXYETHYL)-2-[2-(2-HYDROXYETHYL)-1-BUTENYL]-5-METHYLBENZOTHIAZOLIUM PERCHLORATE
MDL Number.: MFCD09752900
H bond acceptor: 3
H bond donor: 2
Smile: CC/C(=C/c1[n+](c2cc(ccc2s1)C)CCO)/CCO.[O-]Cl(=O)(=O)=O
InChi: InChI=1S/C16H22NO2S.ClHO4/c1-3-13(6-8-18)11-16-17(7-9-19)14-10-12(2)4-5-15(14)20-16;2-1(3,4)5/h4-5,10-11,18-19H,3,6-9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b13-11-;
InChiKey: InChIKey=HERJTDJYTMKERP-KEHAOADBSA-M

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