9-methoxy-1,7,10-trimethyl-3-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 9-methoxy-1,7,10-trimethyl-3-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 3-hydroxy-6-keto-9-methoxy-1,7,10-trimethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C18H16O7 MolecularWeight: 344.31544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O7/c1-7-5-11(23-4)8(2)16-13(7)18(22)24-12-6-10(19)14(17(20)21)9(3)15(12)25-16/h5-6,19H,1-4H3,(H,20,21)