2-bromanyl-4,9-dimethoxy-8-(3-methyl-1-oxidanyl-butyl)-12H-benzo[b][1,5]benzodioxocin-10-one

Systemtic Name: 2-bromanyl-4,9-dimethoxy-8-(3-methyl-1-oxidanyl-butyl)-12H-benzo[b][1,5]benzodioxocin-10-one Openeye Name: 2-bromo-8-(1-hydroxy-3-methyl-butyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one CAS Name: 2-bromo-8-(1-hydroxy-3-methylbutyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one IUPAC Name: 2-bromo-8-(1-hydroxy-3-methylbutyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one Traditional Name: 2-bromo-8-(1-hydroxy-3-methyl-butyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one Formula: C21H23BrO6 MolecularWeight: 451.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C2=C(C=C1)OC3=C(C=C(C=C3COC2=O)Br)OC)OC)O

Isomeric SMILES

CC(C)CC(C1=C(C2=C(C=C1)OC3=C(C=C(C=C3COC2=O)Br)OC)OC)O

InChI

InChI=1S/C21H23BrO6/c1-11(2)7-15(23)14-5-6-16-18(20(14)26-4)21(24)27-10-12-8-13(22)9-17(25-3)19(12)28-16/h5-6,8-9,11,15,23H,7,10H2,1-4H3