3-butyl-4,7-bis(oxidanyl)-3H-2-benzofuran-1-one

Systemtic Name: 3-butyl-4,7-bis(oxidanyl)-3H-2-benzofuran-1-one Openeye Name: 3-butyl-4,7-dihydroxy-3H-isobenzofuran-1-one CAS Name: 3-butyl-4,7-dihydroxy-3H-isobenzofuran-1-one IUPAC Name: 3-butyl-4,7-dihydroxy-3H-2-benzofuran-1-one Traditional Name: 3-butyl-4,7-dihydroxy-phthalide Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-2-3-4-9-10-7(13)5-6-8(14)11(10)12(15)16-9/h5-6,9,13-14H,2-4H2,1H3