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

Systemtic Name: 3-(3-ethanoyl-4-methyl-phenyl)-7,9-bis(oxidanyl)-5H-benzo[b][1]benzoxepin-6-one Openeye Name: 3-(3-acetyl-4-methyl-phenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one CAS Name: 3-(3-acetyl-4-methylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one IUPAC Name: 3-(3-acetyl-4-methylphenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one Traditional Name: 3-(3-acetyl-4-methyl-phenyl)-7,9-dihydroxy-5H-benzo[b][1]benzoxepin-6-one Formula: C23H18O5 MolecularWeight: 374.38602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18O5/c1-12-3-4-15(8-18(12)13(2)24)14-5-6-21-16(7-14)9-19(26)23-20(27)10-17(25)11-22(23)28-21/h3-8,10-11,25,27H,9H2,1-2H3