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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O5
Molecular Weight 226.2259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL GALLATE

SMILES

CC(C)COC(=O)C1=CC(O)=C(O)C(O)=C1

InChI

InChIKey=UCLHVCFKZSLALE-UHFFFAOYSA-N
InChI=1S/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOBUTYL GALLATE
Common Name English
NSC-147482
Code English
BENZOIC ACID, 3,4,5-TRIHYDROXY-, 2-METHYLPROPYL ESTER
Systematic Name English
GALLIC ACID, ISOBUTYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
77464
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY
CAS
3856-05-1
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY
NSC
147482
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID00191886
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-363-9
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY
FDA UNII
SR016RR89P
Created by admin on Sat Dec 16 12:12:43 GMT 2023 , Edited by admin on Sat Dec 16 12:12:43 GMT 2023
PRIMARY