3-ethyl-3-methyl-4,5,6,7-tetrahydro-2-benzofuran-1-one

Systemtic Name: 3-ethyl-3-methyl-4,5,6,7-tetrahydro-2-benzofuran-1-one Openeye Name: 3-ethyl-3-methyl-4,5,6,7-tetrahydroisobenzofuran-1-one CAS Name: 3-ethyl-3-methyl-4,5,6,7-tetrahydroisobenzofuran-1-one IUPAC Name: 3-ethyl-3-methyl-4,5,6,7-tetrahydro-2-benzofuran-1-one Traditional Name: 3-ethyl-3-methyl-4,5,6,7-tetrahydroisobenzofuran-1-one Formula: C11H16O2 MolecularWeight: 180.24354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CCCC2)C(=O)O1)C

Isomeric SMILES

CCC1(C2=C(CCCC2)C(=O)O1)C

InChI

InChI=1S/C11H16O2/c1-3-11(2)9-7-5-4-6-8(9)10(12)13-11/h3-7H2,1-2H3