3-ethyl-3-methyl-isochromene-1,4-dione

Systemtic Name: 3-ethyl-3-methyl-isochromene-1,4-dione Openeye Name: 3-ethyl-3-methyl-isochromane-1,4-dione CAS Name: 3-ethyl-3-methyl-3,4-dihydro-1H-2-benzopyran-1,4-dione IUPAC Name: 3-ethyl-3-methylisochromene-1,4-dione Traditional Name: 3-ethyl-3-methyl-isochroman-1,4-quinone Formula: C12H12O3 MolecularWeight: 204.22188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)C2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CCC1(C(=O)C2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C12H12O3/c1-3-12(2)10(13)8-6-4-5-7-9(8)11(14)15-12/h4-7H,3H2,1-2H3