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Details

Stereochemistry RACEMIC
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-

SMILES

[H][C@]12C(=O)OC(=O)[C@@]1([H])[C@]3([H])CC[C@@]2([H])C=C3

InChI

InChIKey=YIHKILSPWGDWPR-KVFPUHGPSA-N
InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2/t5-,6+,7-,8+

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.1846
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:56:45 GMT 2023
Edited
by admin
on Sat Dec 16 16:56:45 GMT 2023
Record UNII
ZES57BK7N6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-
Systematic Name English
cis-endo-[2.2.2]Oct-5-ene-2,3-dicarboxylic anhydride
Systematic Name English
4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aR,4S,7R,7aS)-rel-
Systematic Name English
NSC-238003
Code English
rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione
Systematic Name English
endo-Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride
Systematic Name English
Bicyclo[2.2.2]octene-2,3-endo-dicarboxylic anhydride
Systematic Name English
4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3aα,4α,7α,7aα)-
Systematic Name English
Code System Code Type Description
PUBCHEM
90468
Created by admin on Sat Dec 16 16:56:45 GMT 2023 , Edited by admin on Sat Dec 16 16:56:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID20947160
Created by admin on Sat Dec 16 16:56:45 GMT 2023 , Edited by admin on Sat Dec 16 16:56:45 GMT 2023
PRIMARY
CAS
24327-08-0
Created by admin on Sat Dec 16 16:56:45 GMT 2023 , Edited by admin on Sat Dec 16 16:56:45 GMT 2023
PRIMARY
FDA UNII
ZES57BK7N6
Created by admin on Sat Dec 16 16:56:45 GMT 2023 , Edited by admin on Sat Dec 16 16:56:45 GMT 2023
PRIMARY
NSC
238003
Created by admin on Sat Dec 16 16:56:45 GMT 2023 , Edited by admin on Sat Dec 16 16:56:45 GMT 2023
PRIMARY