6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoic acid

Systemtic Name: 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoic acid Openeye Name: 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxyhexanoic acid CAS Name: 6-[[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]hexanoic acid IUPAC Name: 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxyhexanoic acid Traditional Name: 6-[(1R,5R)-5-hexyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyhexanoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=O)C(C1OCCCCCC(=O)O)CCCCCC

Isomeric SMILES

CCCCCCC#CC1=CC(=O)[C@@H]([C@H]1OCCCCCC(=O)O)CCCCCC

InChI

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