4-ethanoyl-8-methoxy-5-oxidanyl-1-benzoxepin-3-one

Systemtic Name: 4-ethanoyl-8-methoxy-5-oxidanyl-1-benzoxepin-3-one Openeye Name: 4-acetyl-5-hydroxy-8-methoxy-1-benzoxepin-3-one CAS Name: 4-acetyl-5-hydroxy-8-methoxy-1-benzoxepin-3-one IUPAC Name: 4-acetyl-5-hydroxy-8-methoxy-1-benzoxepin-3-one Traditional Name: 4-acetyl-5-hydroxy-8-methoxy-1-benzoxepin-3-one Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=C(C=C2)OC)OCC1=O)O

Isomeric SMILES

CC(=O)C1=C(C2=C(C=C(C=C2)OC)OCC1=O)O

InChI

InChI=1S/C13H12O5/c1-7(14)12-10(15)6-18-11-5-8(17-2)3-4-9(11)13(12)16/h3-5,16H,6H2,1-2H3