4-(hydroxymethyl)-3,9-dimethoxy-7,10-dimethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-3,9-dimethoxy-7,10-dimethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylic acid Openeye Name: 4-(hydroxymethyl)-3,9-dimethoxy-7,10-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid CAS Name: 4-(hydroxymethyl)-3,9-dimethoxy-7,10-dimethyl-6-oxo-1-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 4-(hydroxymethyl)-3,9-dimethoxy-7,10-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid Traditional Name: 6-keto-3,9-dimethoxy-7,10-dimethyl-4-methylol-benzo[b][1,4]benzodioxepin-1-carboxylic acid Formula: C19H18O8 MolecularWeight: 374.34142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3CO)OC)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3CO)OC)C(=O)O)C)OC

InChI

InChI=1S/C19H18O8/c1-8-5-12(24-3)9(2)15-14(8)19(23)27-17-11(7-20)13(25-4)6-10(18(21)22)16(17)26-15/h5-6,20H,7H2,1-4H3,(H,21,22)