(E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]hept-2-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]hept-2-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]hept-2-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]-2-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]hept-2-enoic acid Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1CCC(=O)C1CCCCC=CC(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1CCC(=O)C1CCCC/C=C/C(=O)O)O

InChI

InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h9,11,13,15,17-18,20,24H,4-8,10,12,14,16H2,1-3H3,(H,25,26)/b11-9+,15-13+