8-butyl-2,3-bis(oxidanyl)-6H-benzo[b][1]benzoxepin-5-one

Systemtic Name: 8-butyl-2,3-bis(oxidanyl)-6H-benzo[b][1]benzoxepin-5-one Openeye Name: 8-butyl-2,3-dihydroxy-6H-benzo[b][1]benzoxepin-5-one CAS Name: 8-butyl-2,3-dihydroxy-6H-benzo[b][1]benzoxepin-5-one IUPAC Name: 8-butyl-2,3-dihydroxy-6H-benzo[b][1]benzoxepin-5-one Traditional Name: 8-butyl-2,3-dihydroxy-6H-benzo[b][1]benzoxepin-5-one Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)OC3=CC(=C(C=C3C(=O)C2)O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)OC3=CC(=C(C=C3C(=O)C2)O)O

InChI

InChI=1S/C18H18O4/c1-2-3-4-11-5-6-17-12(7-11)8-14(19)13-9-15(20)16(21)10-18(13)22-17/h5-7,9-10,20-21H,2-4,8H2,1H3