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

Systemtic Name: 6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]methyl]-2-oxidanyl-octanoic acid Openeye Name: 2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]methyl]octanoic acid CAS Name: 2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]methyl]octanoic acid IUPAC Name: 2-hydroxy-6-[[(1R,2R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]methyl]octanoic acid Traditional Name: 2-hydroxy-6-[[(1R,5R)-2-keto-5-[(E)-oct-1-enyl]cyclopentyl]methyl]caprylic acid Formula: C22H38O4 MolecularWeight: 366.53472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O4/c1-3-5-6-7-8-9-12-18-14-15-20(23)19(18)16-17(4-2)11-10-13-21(24)22(25)26/h9,12,17-19,21,24H,3-8,10-11,13-16H2,1-2H3,(H,25,26)/b12-9+/t17?,18-,19+,21?/m0/s1