U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H20O2
Molecular Weight 196.286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 2,4-DECADIENOATE, (2E,4Z)-

SMILES

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

InChI

InChIKey=OPCRGEVPIBLWAY-QNRZBPGKSA-N
InChI=1S/C12H20O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-11H,3-7H2,1-2H3/b9-8-,11-10+

HIDE SMILES / InChI

Molecular Formula C12H20O2
Molecular Weight 196.286
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
79P6KS9Y5Z
Record Status Validated (UNII)
Record Version