1-butan-2-yl-3-methoxy-4,7-dimethyl-9-oxidanyl-benzo[b][1,4]benzodioxepin-6-one

Systemtic Name: 1-butan-2-yl-3-methoxy-4,7-dimethyl-9-oxidanyl-benzo[b][1,4]benzodioxepin-6-one Openeye Name: 9-hydroxy-3-methoxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 1-butan-2-yl-9-hydroxy-3-methoxy-4,7-dimethyl-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 1-butan-2-yl-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one Traditional Name: 9-hydroxy-3-methoxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3)O)C)C(=O)O2)C)OC

Isomeric SMILES

CCC(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3)O)C)C(=O)O2)C)OC

InChI

InChI=1S/C20H22O5/c1-6-10(2)14-9-15(23-5)12(4)18-19(14)24-16-8-13(21)7-11(3)17(16)20(22)25-18/h7-10,21H,6H2,1-5H3