3-(4-ethanoylphenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzoxepin-6-one

Systemtic Name: 3-(4-ethanoylphenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 3-(4-acetylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one CAS Name: 3-(4-acetylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 3-(4-acetylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 3-(4-acetylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one Formula: C22H16O5 MolecularWeight: 360.35944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=CC(=CC(=C4C(=O)C3)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=CC(=CC(=C4C(=O)C3)O)O

InChI

InChI=1S/C22H16O5/c1-12(23)13-2-4-14(5-3-13)15-6-7-20-16(8-15)9-18(25)22-19(26)10-17(24)11-21(22)27-20/h2-8,10-11,24,26H,9H2,1H3