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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O8
Molecular Weight 290.2665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL ACETYLCITRATE

SMILES

CCCCOC(=O)C(CC(O)=O)(CC(O)=O)OC(C)=O

InChI

InChIKey=VYLSQOUJZHETRJ-UHFFFAOYSA-N
InChI=1S/C12H18O8/c1-3-4-5-19-11(18)12(6-9(14)15,7-10(16)17)20-8(2)13/h3-7H2,1-2H3,(H,14,15)(H,16,17)

HIDE SMILES / InChI

Molecular Formula C12H18O8
Molecular Weight 290.2665
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:47:03 GMT 2023
Edited
by admin
on Sat Dec 16 01:47:03 GMT 2023
Record UNII
XTQ4PHK2EQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL ACETYLCITRATE
Systematic Name English
3-ACETOXY-3-(BUTOXYCARBONYL)PENTANEDIOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
XTQ4PHK2EQ
Created by admin on Sat Dec 16 01:47:03 GMT 2023 , Edited by admin on Sat Dec 16 01:47:03 GMT 2023
PRIMARY
PUBCHEM
119026119
Created by admin on Sat Dec 16 01:47:03 GMT 2023 , Edited by admin on Sat Dec 16 01:47:03 GMT 2023
PRIMARY