bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; ethanoic acid

Systemtic Name: bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one; ethanoic acid Openeye Name: acetic acid; bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one CAS Name: acetic acid; 6-bicyclo[3.1.1]hepta-1(7),2,4-trienone IUPAC Name: acetic acid; bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one Traditional Name: acetic acid; bicyclo[3.1.1]hepta-1(7),2,4-trien-6-one Formula: C9H8O3 MolecularWeight: 164.15802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC2=CC(=C1)C2=O

Isomeric SMILES

CC(=O)O.C1=CC2=CC(=C1)C2=O

InChI

InChI=1S/C7H4O.C2H4O2/c8-7-5-2-1-3-6(7)4-5;1-2(3)4/h1-4H;1H3,(H,3,4)