(E)-7-[2-(3,7-dimethyl-3-oxidanyl-oct-6-enyl)-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(3,7-dimethyl-3-oxidanyl-oct-6-enyl)-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-(3-hydroxy-3,7-dimethyl-oct-6-enyl)-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-hydroxy-3,7-dimethyloct-6-enyl)-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(3-hydroxy-3,7-dimethyloct-6-enyl)-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-(3-hydroxy-3,7-dimethyl-oct-6-enyl)-5-keto-cyclopentyl]hept-5-enoic acid Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(CCC1CCC(=O)C1CC=CCCCC(=O)O)O)C

Isomeric SMILES

CC(=CCCC(C)(CCC1CCC(=O)C1C/C=C/CCCC(=O)O)O)C

InChI

InChI=1S/C22H36O4/c1-17(2)9-8-15-22(3,26)16-14-18-12-13-20(23)19(18)10-6-4-5-7-11-21(24)25/h4,6,9,18-19,26H,5,7-8,10-16H2,1-3H3,(H,24,25)/b6-4+