9-methoxy-3-oxidanyl-6-oxidanylidene-8-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 9-methoxy-3-oxidanyl-6-oxidanylidene-8-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 3-hydroxy-9-methoxy-6-oxo-8-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 3-hydroxy-9-methoxy-6-oxo-8-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 3-hydroxy-9-methoxy-6-oxo-8-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 1-amyl-3-hydroxy-6-keto-9-methoxy-8-valeryl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C25H28O8 MolecularWeight: 456.48502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O8/c1-4-6-8-9-14-22(24(28)29)18(27)12-21-23(14)32-20-13-19(31-3)15(17(26)10-7-5-2)11-16(20)25(30)33-21/h11-13,27H,4-10H2,1-3H3,(H,28,29)