Analyte Name

Diethyl 2-Acetamido-2-(2-formylethyl) Malonate

CAS Number

53908-65-9

Molecular Formula

C26 H29 N2 S . I

Molecular Weight

528.491

Accurate Mass

528.11

SMILES

[I-].CCCCCCN1\C(=C\C=C\c2cc[n+](C)c3ccccc23)\Sc4ccccc14

InChI

InChI=1S/C26H29N2S.HI/c1-3-4-5-10-19-28-24-15-8-9-16-25(24)29-26(28)17-11-12-21-18-20-27(2)23-14-7-6-13-22(21)23;/h6-9,11-18,20H,3-5,10,19H2,1-2H3;1H/q+1;/p-1

IUPAC

(2Z)-3-hexyl-2-[(E)-3-(1-methylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole;iodide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat