3,9-bis(oxidanyl)-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepin-6-one

Systemtic Name: 3,9-bis(oxidanyl)-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepin-6-one Openeye Name: 3,9-dihydroxy-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 3,9-dihydroxy-7-(1-oxopentyl)-1-pentyl-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 3,9-dihydroxy-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepin-6-one Traditional Name: 1-amyl-3,9-dihydroxy-7-valeryl-benzo[b][1,4]benzodioxepin-6-one Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC2=C1OC3=C(C(=CC(=C3)O)C(=O)CCCC)C(=O)O2)O

Isomeric SMILES

CCCCCC1=CC(=CC2=C1OC3=C(C(=CC(=C3)O)C(=O)CCCC)C(=O)O2)O

InChI

InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3