9-methoxy-3-oxidanyl-6-oxidanylidene-1,7-bis(2-oxidanylideneheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 9-methoxy-3-oxidanyl-6-oxidanylidene-1,7-bis(2-oxidanylideneheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 3-hydroxy-6-keto-1,7-bis(2-ketoheptyl)-9-methoxy-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C29H34O9 MolecularWeight: 526.57486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CC1=CC(=CC2=C1C(=O)OC3=CC(=C(C(=C3O2)CC(=O)CCCCC)C(=O)O)O)OC

Isomeric SMILES

CCCCCC(=O)CC1=CC(=CC2=C1C(=O)OC3=CC(=C(C(=C3O2)CC(=O)CCCCC)C(=O)O)O)OC

InChI

InChI=1S/C29H34O9/c1-4-6-8-10-18(30)12-17-13-20(36-3)15-23-25(17)29(35)38-24-16-22(32)26(28(33)34)21(27(24)37-23)14-19(31)11-9-7-5-2/h13,15-16,32H,4-12,14H2,1-3H3,(H,33,34)