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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O6
Molecular Weight 258.2677
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TRIETHYL ACONITATE, (Z)-

SMILES

CCOC(=O)C\C(=C\C(=O)OCC)C(=O)OCC

InChI

InChIKey=IDDWGDKSBYYEPL-CLFYSBASSA-N
InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3/b9-7-

HIDE SMILES / InChI

Molecular Formula C12H18O6
Molecular Weight 258.2677
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:55 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:55 GMT 2023
Record UNII
YKS8CP7A11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRIETHYL ACONITATE, (Z)-
Systematic Name English
FEMA NO. 2417, TRI ESTER, Z-
Code English
TRIETHYL PROP-1-ENE-1,2,3-TRICARBOXYLATE, (Z)-
Systematic Name English
Code System Code Type Description
FDA UNII
YKS8CP7A11
Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023
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PUBCHEM
5462692
Created by admin on Fri Dec 15 19:42:55 GMT 2023 , Edited by admin on Fri Dec 15 19:42:55 GMT 2023
PRIMARY