(E)-7-[2-(3,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(3,4-dimethyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-(3-hydroxy-3,4-dimethyl-octyl)-5-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-hydroxy-3,4-dimethyloctyl)-5-oxo-1-cyclopent-2-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(3-hydroxy-3,4-dimethyloctyl)-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-(3-hydroxy-3,4-dimethyl-octyl)-5-keto-cyclopent-2-en-1-yl]hept-5-enoic acid Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C)(CCC1=CCC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)C(C)(CCC1=CCC(=O)C1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C22H36O4/c1-4-5-10-17(2)22(3,26)16-15-18-13-14-20(23)19(18)11-8-6-7-9-12-21(24)25/h6,8,13,17,19,26H,4-5,7,9-12,14-16H2,1-3H3,(H,24,25)/b8-6+