7-(carboxymethylperoxy)-5-ethyl-bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid

Systemtic Name: 7-(carboxymethylperoxy)-5-ethyl-bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Openeye Name: 7-(carboxymethylperoxy)-5-ethyl-bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid CAS Name: 7-(carboxymethyldioxy)-5-ethyl-7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylic acid IUPAC Name: 7-(carboxymethylperoxy)-5-ethylbicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Traditional Name: 7-(carboxymethylperoxy)-5-ethyl-bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Formula: C12H12O6 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C2(C(=O)O)OOCC(=O)O

Isomeric SMILES

CCC1=CC=CC2=C1C2(C(=O)O)OOCC(=O)O

InChI

InChI=1S/C12H12O6/c1-2-7-4-3-5-8-10(7)12(8,11(15)16)18-17-6-9(13)14/h3-5H,2,6H2,1H3,(H,13,14)(H,15,16)