3-butyl-3H-2-benzofuran-1-one; 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one

Systemtic Name: 3-butyl-3H-2-benzofuran-1-one; 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one Openeye Name: 3-butyl-4,5-dihydro-3H-isobenzofuran-1-one; 3-butyl-3H-isobenzofuran-1-one CAS Name: 3-butyl-4,5-dihydro-3H-isobenzofuran-1-one; 3-butyl-3H-isobenzofuran-1-one IUPAC Name: 3-butyl-3H-2-benzofuran-1-one; 3-butyl-4,5-dihydro-3H-2-benzofuran-1-one Traditional Name: 3-butyl-4,5-dihydro-3H-isobenzofuran-1-one; 3-butylphthalide Formula: C24H30O4 MolecularWeight: 382.4926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=CCC2)C(=O)O1.CCCCC1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCCC1C2=C(C=CCC2)C(=O)O1.CCCCC1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C12H16O2.C12H14O2/c2*1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3;4-7,11H,2-3,8H2,1H3