methyl (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-(dioxidanyl)oct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate

Systemtic Name: methyl (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-(dioxidanyl)oct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate Openeye Name: methyl (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate CAS Name: (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]-5-heptenoic acid methyl ester IUPAC Name: methyl (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoate Traditional Name: (Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroperoxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid methyl ester Formula: C21H34O6 MolecularWeight: 382.49106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)OC)OO2)OO

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)OO2)OO

InChI

InChI=1S/C21H34O6/c1-3-4-7-10-16(25-23)13-14-18-17(19-15-20(18)27-26-19)11-8-5-6-9-12-21(22)24-2/h5,8,13-14,16-20,23H,3-4,6-7,9-12,15H2,1-2H3/b8-5-,14-13+/t16-,17+,18-,19-,20+/m0/s1