1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzoxepin-3-yl]pentan-1-one

Systemtic Name: 1-[7,9-bis(oxidanyl)-5,6-dihydrobenzo[b][1]benzoxepin-3-yl]pentan-1-one Openeye Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzoxepin-3-yl)pentan-1-one CAS Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzoxepin-3-yl)-1-pentanone IUPAC Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzoxepin-3-yl)pentan-1-one Traditional Name: 1-(7,9-dihydroxy-5,6-dihydrobenzo[b][1]benzoxepin-3-yl)pentan-1-one Formula: C19H20O4 MolecularWeight: 312.3597

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC2=C(C=C1)OC3=CC(=CC(=C3CC2)O)O

Isomeric SMILES

CCCCC(=O)C1=CC2=C(C=C1)OC3=CC(=CC(=C3CC2)O)O

InChI

InChI=1S/C19H20O4/c1-2-3-4-16(21)12-6-8-18-13(9-12)5-7-15-17(22)10-14(20)11-19(15)23-18/h6,8-11,20,22H,2-5,7H2,1H3