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Details

Stereochemistry RACEMIC
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity ( + / - )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tricyclo[3.2.2.0<SUP>2,4</SUP>-]non-8-ene-6,7-dicarboxylic acid, monoethyl ester, (1?,2?,4?,5?,6?,7?)-

SMILES

CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@@H]23)[C@@H]1C(O)=O

InChI

InChIKey=BYBJUIZCQMFYQW-JGCWNDTHSA-N
InChI=1S/C13H16O4/c1-2-17-13(16)11-7-4-3-6(8-5-9(7)8)10(11)12(14)15/h3-4,6-11H,2,5H2,1H3,(H,14,15)/t6-,7+,8+,9-,10-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2637
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:52:36 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:36 GMT 2025
Record UNII
2FVS9YTR3Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Tricyclo[3.2.2.0<SUP>2,4</SUP>-]non-8-ene-6,7-dicarboxylic acid, monoethyl ester, (1?,2?,4?,5?,6?,7?)-
Preferred Name English
Code System Code Type Description
CAS
84309-75-1
Created by admin on Wed Apr 02 20:52:36 GMT 2025 , Edited by admin on Wed Apr 02 20:52:36 GMT 2025
PRIMARY
FDA UNII
2FVS9YTR3Y
Created by admin on Wed Apr 02 20:52:36 GMT 2025 , Edited by admin on Wed Apr 02 20:52:36 GMT 2025
PRIMARY
PUBCHEM
171390253
Created by admin on Wed Apr 02 20:52:36 GMT 2025 , Edited by admin on Wed Apr 02 20:52:36 GMT 2025
PRIMARY