6-ethyl-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]methyl]-2-oxidanyl-octanoic acid

Systemtic Name: 6-ethyl-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]methyl]-2-oxidanyl-octanoic acid Openeye Name: 6-ethyl-2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]methyl]octanoic acid CAS Name: 6-ethyl-2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]methyl]octanoic acid IUPAC Name: 6-ethyl-2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]methyl]octanoic acid Traditional Name: 6-ethyl-2-hydroxy-6-[[(1R,5R)-2-keto-5-[(E)-oct-1-enyl]cyclopentyl]methyl]caprylic acid Formula: C24H42O4 MolecularWeight: 394.58788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1CCC(=O)C1CC(CC)(CC)CCCC(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H42O4/c1-4-7-8-9-10-11-13-19-15-16-21(25)20(19)18-24(5-2,6-3)17-12-14-22(26)23(27)28/h11,13,19-20,22,26H,4-10,12,14-18H2,1-3H3,(H,27,28)/b13-11+/t19-,20+,22?/m0/s1