5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoic acid

Systemtic Name: 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoic acid Openeye Name: 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxypentanoic acid CAS Name: 5-[[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]pentanoic acid IUPAC Name: 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxypentanoic acid Traditional Name: 5-[(1R,5R)-5-heptyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyvaleric acid Formula: C25H40O4 MolecularWeight: 404.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(C(=CC1=O)C#CCCCCCC)OCCCCC(=O)O

Isomeric SMILES

CCCCCCC[C@@H]1[C@H](C(=CC1=O)C#CCCCCCC)OCCCCC(=O)O

InChI

InChI=1S/C25H40O4/c1-3-5-7-9-11-12-16-21-20-23(26)22(17-13-10-8-6-4-2)25(21)29-19-15-14-18-24(27)28/h20,22,25H,3-11,13-15,17-19H2,1-2H3,(H,27,28)/t22-,25-/m0/s1