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

Systemtic Name: 4-chloranyl-9-methoxy-1,7,10-trimethyl-3-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 4-chloro-3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 4-chloro-3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 4-chloro-3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 4-chloro-3-hydroxy-6-keto-9-methoxy-1,7,10-trimethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C18H15ClO7 MolecularWeight: 378.7605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3Cl)O)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3Cl)O)C(=O)O)C)C)OC

InChI

InChI=1S/C18H15ClO7/c1-6-5-9(24-4)7(2)14-10(6)18(23)26-16-12(19)13(20)11(17(21)22)8(3)15(16)25-14/h5,20H,1-4H3,(H,21,22)