Triethyl aconitate[乌头酸三乙酯]

68077-28-1

CAS Name

1-Propene-1,2,3-tricarboxylic acid, triethyl ester, (E)-

Molecular Formula

C₁₂H₁₈O₆

Molecular Mass

258.27

Other Names and Identifiers

InChI

InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7+

InChIKey

InChIKey=IDDWGDKSBYYEPL-VQHVLOKHSA-N

SMILES

C(\CC(OCC)=O)(=C\C(OCC)=O)/C(OCC)=O

Canonical SMILES

O=C(OCC)C=C(C(=O)OCC)CC(=O)OCC

Other Names for this Substance