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

Systemtic Name: (E)-7-[2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopent-2-en-1-yl]hept-5-enoic acid Openeye Name: (E)-7-[2-(3-hydroxy-3-methyl-octyl)-5-oxo-cyclopent-2-en-1-yl]hept-5-enoic acid CAS Name: (E)-7-[2-(3-hydroxy-3-methyloctyl)-5-oxo-1-cyclopent-2-enyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(3-hydroxy-3-methyloctyl)-5-oxocyclopent-2-en-1-yl]hept-5-enoic acid Traditional Name: (E)-7-[2-(3-hydroxy-3-methyl-octyl)-5-keto-cyclopent-2-en-1-yl]hept-5-enoic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h5,7,12,18,25H,3-4,6,8-11,13-16H2,1-2H3,(H,23,24)/b7-5+