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

Systemtic Name: 1-butan-2-yl-4,7-dimethyl-3,9-bis(oxidanyl)benzo[b][1,4]benzodioxepin-6-one Openeye Name: 3,9-dihydroxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one CAS Name: 1-butan-2-yl-3,9-dihydroxy-4,7-dimethyl-6-benzo[b][1,4]benzodioxepinone IUPAC Name: 1-butan-2-yl-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one Traditional Name: 3,9-dihydroxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one Formula: C19H20O5 MolecularWeight: 328.3591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h6-9,20-21H,5H2,1-4H3