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

Systemtic Name: 6-(3,3-dimethylpent-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-(3,3-dimethylpent-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 6-(3,3-dimethylpent-1-ynyl)-1-methoxy-8-methyl-2-(3-methyl-1-oxobutyl)-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 6-(3,3-dimethylpent-1-ynyl)-1-methoxy-8-methyl-2-(3-methylbutanoyl)-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-(3,3-dimethylpent-1-ynyl)-2-isovaleryl-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C28H32O5 MolecularWeight: 448.55068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C#CC1=CC(=CC2=C1OC3=C(C(=C(C=C3)C(=O)CC(C)C)OC)C(=O)OC2)C

Isomeric SMILES

CCC(C)(C)C#CC1=CC(=CC2=C1OC3=C(C(=C(C=C3)C(=O)CC(C)C)OC)C(=O)OC2)C

InChI

InChI=1S/C28H32O5/c1-8-28(5,6)12-11-19-14-18(4)15-20-16-32-27(30)24-23(33-25(19)20)10-9-21(26(24)31-7)22(29)13-17(2)3/h9-10,14-15,17H,8,13,16H2,1-7H3