3-butyl-3,6-bis(oxidanyl)-2-benzofuran-1-one

Systemtic Name: 3-butyl-3,6-bis(oxidanyl)-2-benzofuran-1-one Openeye Name: 3-butyl-3,6-dihydroxy-isobenzofuran-1-one CAS Name: 3-butyl-3,6-dihydroxy-1-isobenzofuranone IUPAC Name: 3-butyl-3,6-dihydroxy-2-benzofuran-1-one Traditional Name: 3-butyl-3,6-dihydroxy-phthalide Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-2-3-6-12(15)10-5-4-8(13)7-9(10)11(14)16-12/h4-5,7,13,15H,2-3,6H2,1H3