4-(hydroxymethyl)-10-methanoyl-3-methoxy-1,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 4-(hydroxymethyl)-10-methanoyl-3-methoxy-1,7-dimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-3-methoxy-1,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-3-methoxy-1,7-dimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 10-formyl-9-hydroxy-4-(hydroxymethyl)-3-methoxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 10-formyl-9-hydroxy-6-keto-3-methoxy-1,7-dimethyl-4-methylol-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C19H16O9 MolecularWeight: 388.32494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16O9/c1-7-4-11(22)9(5-20)16-12(7)19(25)28-17-10(6-21)15(26-3)13(18(23)24)8(2)14(17)27-16/h4-5,21-22H,6H2,1-3H3,(H,23,24)