9-methanoyl-3-oxidanyl-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 9-methanoyl-3-oxidanyl-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 9-formyl-3-hydroxy-6-oxo-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 9-formyl-3-hydroxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 9-formyl-3-hydroxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 1-amyl-9-formyl-3-hydroxy-6-keto-7-valeryl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C25H26O8 MolecularWeight: 454.46914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC(=C1C(=O)O)O)OC(=O)C3=C(C=C(C=C3O2)C=O)C(=O)CCCC

Isomeric SMILES

CCCCCC1=C2C(=CC(=C1C(=O)O)O)OC(=O)C3=C(C=C(C=C3O2)C=O)C(=O)CCCC

InChI

InChI=1S/C25H26O8/c1-3-5-7-8-15-21(24(29)30)18(28)12-20-23(15)32-19-11-14(13-26)10-16(17(27)9-6-4-2)22(19)25(31)33-20/h10-13,28H,3-9H2,1-2H3,(H,29,30)