3-(2-methyl-3-oxidanylidene-pentan-2-yl)-3H-2-benzofuran-1-one

Systemtic Name: 3-(2-methyl-3-oxidanylidene-pentan-2-yl)-3H-2-benzofuran-1-one Openeye Name: 3-(1,1-dimethyl-2-oxo-butyl)-3H-isobenzofuran-1-one CAS Name: 3-(2-methyl-3-oxopentan-2-yl)-3H-isobenzofuran-1-one IUPAC Name: 3-(2-methyl-3-oxopentan-2-yl)-3H-2-benzofuran-1-one Traditional Name: 3-(2-keto-1,1-dimethyl-butyl)phthalide Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCC(=O)C(C)(C)C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C14H16O3/c1-4-11(15)14(2,3)12-9-7-5-6-8-10(9)13(16)17-12/h5-8,12H,4H2,1-3H3