bicyclo[2.2.2]octa-1,3,5-triene; propanoate

Systemtic Name: bicyclo[2.2.2]octa-1,3,5-triene; propanoate Openeye Name: bicyclo[2.2.2]octa-1,3,5-triene; propanoate CAS Name: bicyclo[2.2.2]octa-1,3,5-triene; propanoate IUPAC Name: bicyclo[2.2.2]octa-1,3,5-triene; propanoate Traditional Name: bicyclo[2.2.2]octa-1,3,5-triene; propionate Formula: C11H13O2- MolecularWeight: 177.21972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].C1CC2=CC=C1C=C2

Isomeric SMILES

CCC(=O)[O-].C1CC2=CC=C1C=C2

InChI

InChI=1S/C8H8.C3H6O2/c1-2-8-5-3-7(1)4-6-8;1-2-3(4)5/h1-3,5H,4,6H2;2H2,1H3,(H,4,5)/p-1