3-butyl-3-oxidanyl-4,5-dihydro-2-benzofuran-1-one

Systemtic Name: 3-butyl-3-oxidanyl-4,5-dihydro-2-benzofuran-1-one Openeye Name: 3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one CAS Name: 3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one IUPAC Name: 3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one Traditional Name: 3-butyl-3-hydroxy-4,5-dihydroisobenzofuran-1-one Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=CCC2)C(=O)O1)O

Isomeric SMILES

CCCCC1(C2=C(C=CCC2)C(=O)O1)O

InChI

InChI=1S/C12H16O3/c1-2-3-8-12(14)10-7-5-4-6-9(10)11(13)15-12/h4,6,14H,2-3,5,7-8H2,1H3