methyl (E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-4-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate

Systemtic Name: methyl (E)-7-[3-oxidanyl-5-oxidanylidene-2-[(E)-4-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoate Openeye Name: methyl (E)-7-[3-hydroxy-2-[(E)-4-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoate CAS Name: (E)-7-[3-hydroxy-2-[(E)-4-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[3-hydroxy-2-[(E)-4-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate Traditional Name: (E)-7-[3-hydroxy-2-[(E)-4-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:

CCCCC(CC=CC1C(CC(=O)C1CC=CCCCC(=O)OC)O)O

Isomeric SMILES

CCCCC(C/C=C/C1C(CC(=O)C1C/C=C/CCCC(=O)OC)O)O

InChI

InChI=1S/C21H34O5/c1-3-4-10-16(22)11-9-13-18-17(19(23)15-20(18)24)12-7-5-6-8-14-21(25)26-2/h5,7,9,13,16-18,20,22,24H,3-4,6,8,10-12,14-15H2,1-2H3/b7-5+,13-9+