3-(2,4-dimethyl-3-oxidanylidene-pentan-2-yl)-5-methyl-3H-2-benzofuran-1-one

Systemtic Name: 3-(2,4-dimethyl-3-oxidanylidene-pentan-2-yl)-5-methyl-3H-2-benzofuran-1-one Openeye Name: 5-methyl-3-(1,1,3-trimethyl-2-oxo-butyl)-3H-isobenzofuran-1-one CAS Name: 3-(2,4-dimethyl-3-oxopentan-2-yl)-5-methyl-3H-isobenzofuran-1-one IUPAC Name: 3-(2,4-dimethyl-3-oxopentan-2-yl)-5-methyl-3H-2-benzofuran-1-one Traditional Name: 3-(2-keto-1,1,3-trimethyl-butyl)-5-methyl-phthalide Formula: C16H20O3 MolecularWeight: 260.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC2C(C)(C)C(=O)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC2C(C)(C)C(=O)C(C)C

InChI

InChI=1S/C16H20O3/c1-9(2)13(17)16(4,5)14-12-8-10(3)6-7-11(12)15(18)19-14/h6-9,14H,1-5H3