8-chloranyl-3,9-bis(oxidanyl)-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-10-carbaldehyde

Systemtic Name: 8-chloranyl-3,9-bis(oxidanyl)-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-10-carbaldehyde Openeye Name: 8-chloro-3,9-dihydroxy-6-oxo-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-10-carbaldehyde CAS Name: 8-chloro-3,9-dihydroxy-6-oxo-7-(1-oxopentyl)-1-pentyl-10-benzo[b][1,4]benzodioxepincarboxaldehyde IUPAC Name: 8-chloro-3,9-dihydroxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-10-carbaldehyde Traditional Name: 1-amyl-8-chloro-3,9-dihydroxy-6-keto-7-valeryl-benzo[b][1,4]benzodioxepin-10-carbaldehyde Formula: C24H25ClO7 MolecularWeight: 460.9041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC2=C1OC3=C(C(=C(C(=C3C(=O)O2)C(=O)CCCC)Cl)O)C=O)O

Isomeric SMILES

CCCCCC1=CC(=CC2=C1OC3=C(C(=C(C(=C3C(=O)O2)C(=O)CCCC)Cl)O)C=O)O

InChI

InChI=1S/C24H25ClO7/c1-3-5-7-8-13-10-14(27)11-17-22(13)32-23-15(12-26)21(29)20(25)18(16(28)9-6-4-2)19(23)24(30)31-17/h10-12,27,29H,3-9H2,1-2H3