CAS Registry Number®
4431-01-0
CAS Name
Ligustilide
Molecular Formula
C12H14O2
Molecular Mass
190.24
Other Names and Identifiers
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3
InChIKey
InChIKey=IQVQXVFMNOFTMU-UHFFFAOYSA-N
SMILES
C(CCC)=C1C2=C(C(=O)O1)C=CCC2
Canonical SMILES
O=C1OC(=CCCC)C2=C1C=CCC2
Other Names for this Substance
- 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
- 1,5-Cyclohexadiene-1-carboxylic acid, 2-(1-hydroxy-1-pentenyl)-, γ-lactone
- Ligustilide
- Phthalide, 3-butylidene-4,5-dihydro-
- 3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone
- 3-Butylidene-4,5-dihydrophthalide
- 3-Butylidene-4,5-dihydro-2-benzofuran-1-one
