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

Systemtic Name: 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoic acid Openeye Name: 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxyhexanoic acid CAS Name: 6-[[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]hexanoic acid IUPAC Name: 6-[(1S,5R)-5-heptyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxyhexanoic acid Traditional Name: 6-[(1S,5R)-5-heptyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyhexanoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26+/m0/s1