4-(hydroxymethyl)-10-methanoyl-1,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-10-methanoyl-1,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 10-formyl-9-hydroxy-6-keto-1,7-dimethyl-4-methylol-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C18H14O8 MolecularWeight: 358.29896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(C=C(C(=C3O2)C)C(=O)O)CO)C=O)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(C=C(C(=C3O2)C)C(=O)O)CO)C=O)O

InChI

InChI=1S/C18H14O8/c1-7-3-12(21)11(6-20)16-13(7)18(24)26-15-9(5-19)4-10(17(22)23)8(2)14(15)25-16/h3-4,6,19,21H,5H2,1-2H3,(H,22,23)