9-butyl-2,4-bis(oxidanyl)-6H-benzo[b][1]benzoxepin-5-one

Systemtic Name: 9-butyl-2,4-bis(oxidanyl)-6H-benzo[b][1]benzoxepin-5-one Openeye Name: 9-butyl-2,4-dihydroxy-6H-benzo[b][1]benzoxepin-5-one CAS Name: 9-butyl-2,4-dihydroxy-6H-benzo[b][1]benzoxepin-5-one IUPAC Name: 9-butyl-2,4-dihydroxy-6H-benzo[b][1]benzoxepin-5-one Traditional Name: 9-butyl-2,4-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(CC(=O)C3=C(C=C(C=C3O2)O)O)C=C1

Isomeric SMILES

CCCCC1=CC2=C(CC(=O)C3=C(C=C(C=C3O2)O)O)C=C1

InChI

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