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

Systemtic Name: 3-(4-methylphenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 7,9-dihydroxy-3-(p-tolyl)-5H-benzo[b][1]benzoxepin-6-one CAS Name: 7,9-dihydroxy-3-(4-methylphenyl)-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 7,9-dihydroxy-3-(4-methylphenyl)-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 7,9-dihydroxy-3-(p-tolyl)-5H-benzo[b][1]benzoxepin-6-one Formula: C21H16O4 MolecularWeight: 332.34934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=CC(=CC(=C4C(=O)C3)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC4=CC(=CC(=C4C(=O)C3)O)O

InChI

InChI=1S/C21H16O4/c1-12-2-4-13(5-3-12)14-6-7-19-15(8-14)9-17(23)21-18(24)10-16(22)11-20(21)25-19/h2-8,10-11,22,24H,9H2,1H3