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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14O2
Molecular Weight 190.2388
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of LIGUSTILIDE A

SMILES

CCC/C(/[H])=C\1/C2=C(C=CCC2)C(=O)O1

InChI

InChIKey=IQVQXVFMNOFTMU-FLIBITNWSA-N
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/b11-8-

HIDE SMILES / InChI

Molecular Formula C12H14O2
Molecular Weight 190.2388
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 10:56:54 UTC 2021
Edited
by admin
on Sat Jun 26 10:56:54 UTC 2021
Record UNII
10HE68JD06
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LIGUSTILIDE A
Common Name English
(Z)-LIGUSTILIDE
Common Name English
(3Z)-3-BUTYLIDENE-4,5-DIHYDRO-1(3H)-ISOBENZOFURANONE
Common Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5-DIHYDRO-, (3Z)-
Common Name English
LIGUSTILIDE
Common Name English
CIS-LIGUSTILIDE
Common Name English
1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5-DIHYDRO-, (Z)-
Common Name English
Code System Code Type Description
FDA UNII
10HE68JD06
Created by admin on Sat Jun 26 10:56:55 UTC 2021 , Edited by admin on Sat Jun 26 10:56:55 UTC 2021
PRIMARY
CAS
4431-01-0
Created by admin on Sat Jun 26 10:56:54 UTC 2021 , Edited by admin on Sat Jun 26 10:56:54 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
CAS
81944-09-4
Created by admin on Sat Jun 26 10:56:55 UTC 2021 , Edited by admin on Sat Jun 26 10:56:55 UTC 2021
PRIMARY
PUBCHEM
5319022
Created by admin on Sat Jun 26 10:56:55 UTC 2021 , Edited by admin on Sat Jun 26 10:56:55 UTC 2021
PRIMARY
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