5-ethanoyl-3,7,7-trimethyl-4-oxidanyl-1-benzofuran-6-one

Systemtic Name: 5-ethanoyl-3,7,7-trimethyl-4-oxidanyl-1-benzofuran-6-one Openeye Name: 5-acetyl-4-hydroxy-3,7,7-trimethyl-benzofuran-6-one CAS Name: 5-acetyl-4-hydroxy-3,7,7-trimethyl-6-benzofuranone IUPAC Name: 5-acetyl-4-hydroxy-3,7,7-trimethyl-1-benzofuran-6-one Traditional Name: 5-acetyl-4-hydroxy-3,7,7-trimethyl-benzofuran-6-one Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(=C(C(=O)C2(C)C)C(=O)C)O

Isomeric SMILES

CC1=COC2=C1C(=C(C(=O)C2(C)C)C(=O)C)O

InChI

InChI=1S/C13H14O4/c1-6-5-17-12-8(6)10(15)9(7(2)14)11(16)13(12,3)4/h5,15H,1-4H3