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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32O5/c1-6-7-8-9-10-11-20-15-19(4)16-21-17-32-28(30)25-24(33-26(20)21)13-12-22(27(25)31-5)23(29)14-18(2)3/h12-13,15-16,18H,6-9,14,17H2,1-5H3