8-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-octanoic acid

Systemtic Name: 8-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-octanoic acid Openeye Name: 2-hydroxy-8-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]octanoic acid CAS Name: 2-hydroxy-8-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]octanoic acid IUPAC Name: 2-hydroxy-8-[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]octanoic acid Traditional Name: 2-hydroxy-8-[(1R,5R)-2-keto-5-[(E)-oct-1-enyl]cyclopentyl]caprylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CCC(=O)C1CCCCCCC(C(=O)O)O

Isomeric SMILES

CCCCCC/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(C(=O)O)O

InChI

InChI=1S/C21H36O4/c1-2-3-4-5-6-9-12-17-15-16-19(22)18(17)13-10-7-8-11-14-20(23)21(24)25/h9,12,17-18,20,23H,2-8,10-11,13-16H2,1H3,(H,24,25)/b12-9+/t17-,18+,20?/m0/s1