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Details

Stereochemistry MIXED
Molecular Formula C12H20O7
Molecular Weight 276.283
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHYL ISOCITRATE

SMILES

CCOC(=O)CC(C(O)C(=O)OCC)C(=O)OCC

InChI

InChIKey=BFSUGKVPVMLOQN-UHFFFAOYSA-N
InChI=1S/C12H20O7/c1-4-17-9(13)7-8(11(15)18-5-2)10(14)12(16)19-6-3/h8,10,14H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H20O7
Molecular Weight 276.283
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:10 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:10 GMT 2025
Record UNII
8U1FQ685F6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCITRIC ACID, TRIETHYL ESTER
Preferred Name English
TRIETHYL ISOCITRATE
Systematic Name English
PENTARIC ACID, 2,3-DIDEOXY-3-(ETHOXYCARBONYL)-, 1,5-DIETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
16496-37-0
Created by admin on Mon Mar 31 23:13:10 GMT 2025 , Edited by admin on Mon Mar 31 23:13:10 GMT 2025
PRIMARY
PUBCHEM
11403129
Created by admin on Mon Mar 31 23:13:10 GMT 2025 , Edited by admin on Mon Mar 31 23:13:10 GMT 2025
PRIMARY
FDA UNII
8U1FQ685F6
Created by admin on Mon Mar 31 23:13:10 GMT 2025 , Edited by admin on Mon Mar 31 23:13:10 GMT 2025
PRIMARY