6-(3,3-dimethylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 6-(3,3-dimethylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-(3,3-dimethylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 6-(3,3-dimethylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 6-(3,3-dimethylbut-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-(3,3-dimethylbut-1-ynyl)-2-isovaleryl-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C27H30O5 MolecularWeight: 434.5241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C#CC(C)(C)C)OC3=C(C(=C(C=C3)C(=O)CC(C)C)OC)C(=O)OC2

Isomeric SMILES

CC1=CC2=C(C(=C1)C#CC(C)(C)C)OC3=C(C(=C(C=C3)C(=O)CC(C)C)OC)C(=O)OC2

InChI

InChI=1S/C27H30O5/c1-16(2)12-21(28)20-8-9-22-23(25(20)30-7)26(29)31-15-19-14-17(3)13-18(24(19)32-22)10-11-27(4,5)6/h8-9,13-14,16H,12,15H2,1-7H3