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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O4/c1-4-7-9-11-13-15-19-24-23-26(29)25(20-16-12-10-8-5-2)28(24)32-22-18-14-17-21-27(30)31-6-3/h23,25,28H,4-14,16-18,20-22H2,1-3H3/t25-,28-/m0/s1