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

Systemtic Name: propan-2-yl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxyhexanoate Openeye Name: isopropyl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxyhexanoate CAS Name: 6-[[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[(1R,5R)-5-hexyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxyhexanoate Traditional Name: 6-[(1R,5R)-5-hexyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyhexanoic acid isopropyl ester Formula: C28H46O4 MolecularWeight: 446.66244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-5-7-9-11-12-14-18-24-22-26(29)25(19-15-10-8-6-2)28(24)31-21-17-13-16-20-27(30)32-23(3)4/h22-23,25,28H,5-13,15-17,19-21H2,1-4H3/t25-,28-/m0/s1