8-(3,3-dimethyl-1-oxidanyl-butyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one

Systemtic Name: 8-(3,3-dimethyl-1-oxidanyl-butyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Openeye Name: 8-(1-hydroxy-3,3-dimethyl-butyl)-1-isopentyloxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 8-(1-hydroxy-3,3-dimethylbutyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 8-(1-hydroxy-3,3-dimethylbutyl)-7-methoxy-3-methyl-1-(3-methylbutoxy)benzo[b][1,4]benzodioxepin-6-one Traditional Name: 8-(1-hydroxy-3,3-dimethyl-butyl)-1-isoamoxy-7-methoxy-3-methyl-benzo[b][1,4]benzodioxepin-6-one Formula: C26H34O6 MolecularWeight: 442.54456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)OCCC(C)C)OC3=C(C(=C(C=C3)C(CC(C)(C)C)O)OC)C(=O)O2

Isomeric SMILES

CC1=CC2=C(C(=C1)OCCC(C)C)OC3=C(C(=C(C=C3)C(CC(C)(C)C)O)OC)C(=O)O2

InChI

InChI=1S/C26H34O6/c1-15(2)10-11-30-20-12-16(3)13-21-24(20)31-19-9-8-17(18(27)14-26(4,5)6)23(29-7)22(19)25(28)32-21/h8-9,12-13,15,18,27H,10-11,14H2,1-7H3