3-ethanoyl-5-methoxy-3,4-dimethyl-7-oxidanyl-2-benzofuran-1-one

Systemtic Name: 3-ethanoyl-5-methoxy-3,4-dimethyl-7-oxidanyl-2-benzofuran-1-one Openeye Name: 3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-isobenzofuran-1-one CAS Name: 3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-1-isobenzofuranone IUPAC Name: 3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-2-benzofuran-1-one Traditional Name: 3-acetyl-7-hydroxy-5-methoxy-3,4-dimethyl-phthalide Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(OC2=O)(C)C(=O)C)O)OC

Isomeric SMILES

CC1=C(C=C(C2=C1C(OC2=O)(C)C(=O)C)O)OC

InChI

InChI=1S/C13H14O5/c1-6-9(17-4)5-8(15)10-11(6)13(3,7(2)14)18-12(10)16/h5,15H,1-4H3