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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H32O5/c1-17(2)9-7-8-10-20-14-19(5)15-21-16-32-28(30)25-24(33-26(20)21)12-11-22(27(25)31-6)23(29)13-18(3)4/h11-12,14-15,17-18H,7,9,13,16H2,1-6H3