methyl (E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-8-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-8-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-5-keto-cyclopentyl]hept-5-enoic acid methyl ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCC1C(C(CC1=O)O)C=CCCCCCCO

Isomeric SMILES

COC(=O)CCC/C=C/CC1C(C(CC1=O)O)/C=C/CCCCCCO

InChI

InChI=1S/C21H34O5/c1-26-21(25)14-10-6-5-9-13-18-17(19(23)16-20(18)24)12-8-4-2-3-7-11-15-22/h5,8-9,12,17-19,22-23H,2-4,6-7,10-11,13-16H2,1H3/b9-5+,12-8+