4-ethanoyl-9-methyl-5-oxidanyl-1-benzoxepin-3-one

Systemtic Name: 4-ethanoyl-9-methyl-5-oxidanyl-1-benzoxepin-3-one Openeye Name: 4-acetyl-5-hydroxy-9-methyl-1-benzoxepin-3-one CAS Name: 4-acetyl-5-hydroxy-9-methyl-1-benzoxepin-3-one IUPAC Name: 4-acetyl-5-hydroxy-9-methyl-1-benzoxepin-3-one Traditional Name: 4-acetyl-5-hydroxy-9-methyl-1-benzoxepin-3-one Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCC(=O)C(=C2O)C(=O)C

Isomeric SMILES

CC1=CC=CC2=C1OCC(=O)C(=C2O)C(=O)C

InChI

InChI=1S/C13H12O4/c1-7-4-3-5-9-12(16)11(8(2)14)10(15)6-17-13(7)9/h3-5,16H,6H2,1-2H3