3,9-dimethoxy-4,7,10-trimethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylic acid

Systemtic Name: 3,9-dimethoxy-4,7,10-trimethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylic acid Openeye Name: 3,9-dimethoxy-4,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid CAS Name: 3,9-dimethoxy-4,7,10-trimethyl-6-oxo-1-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 3,9-dimethoxy-4,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid Traditional Name: 6-keto-3,9-dimethoxy-4,7,10-trimethyl-benzo[b][1,4]benzodioxepin-1-carboxylic acid Formula: C19H18O7 MolecularWeight: 358.34202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C)OC

InChI

InChI=1S/C19H18O7/c1-8-6-12(23-4)9(2)15-14(8)19(22)26-16-10(3)13(24-5)7-11(18(20)21)17(16)25-15/h6-7H,1-5H3,(H,20,21)