methyl 4-chloranyl-3-methoxy-9-methyl-7-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylate

Systemtic Name: methyl 4-chloranyl-3-methoxy-9-methyl-7-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-1-carboxylate Openeye Name: methyl 4-chloro-7-hydroxy-3-methoxy-9-methyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylate CAS Name: 4-chloro-7-hydroxy-3-methoxy-9-methyl-6-oxo-1-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-7-hydroxy-3-methoxy-9-methyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylate Traditional Name: 4-chloro-7-hydroxy-6-keto-3-methoxy-9-methyl-benzo[b][1,4]benzodioxepin-1-carboxylic acid methyl ester Formula: C17H13ClO7 MolecularWeight: 364.73392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)O)C(=O)OC3=C(O2)C(=CC(=C3Cl)OC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C(=C1)O)C(=O)OC3=C(O2)C(=CC(=C3Cl)OC)C(=O)OC

InChI

InChI=1S/C17H13ClO7/c1-7-4-9(19)12-10(5-7)24-14-8(16(20)23-3)6-11(22-2)13(18)15(14)25-17(12)21/h4-6,19H,1-3H3