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

Details

Stereochemistry RACEMIC
Molecular Formula C22H40O3
Molecular Weight 352.5512
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,3-butylene glycol 3-linoleate

SMILES

CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(C)CCO

InChI

InChIKey=WSMLTELUHPXUGL-NQLNTKRDSA-N
InChI=1S/C22H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)25-21(2)19-20-23/h7-8,10-11,21,23H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-

HIDE SMILES / InChI

Approval Year

Name Type Language
1,3-butylene glycol 3-linoleate
Common Name English
Code System Code Type Description
FDA UNII
W2UYG37XP2
Created by admin on Sat Dec 16 19:28:40 GMT 2023 , Edited by admin on Sat Dec 16 19:28:40 GMT 2023
PRIMARY
PUBCHEM
166177293
Created by admin on Sat Dec 16 19:28:40 GMT 2023 , Edited by admin on Sat Dec 16 19:28:40 GMT 2023
PRIMARY