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

Systemtic Name: ethyl 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxidanylidene-cyclopent-2-en-1-yl]oxypentanoate Openeye Name: ethyl 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-cyclopent-2-en-1-yl]oxypentanoate CAS Name: 5-[[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxo-1-cyclopent-2-enyl]oxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(1R,5R)-5-heptyl-2-oct-1-ynyl-4-oxocyclopent-2-en-1-yl]oxypentanoate Traditional Name: 5-[(1R,5R)-5-heptyl-4-keto-2-oct-1-ynyl-cyclopent-2-en-1-yl]oxyvaleric acid ethyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O4/c1-4-7-9-11-13-14-18-23-22-25(28)24(19-15-12-10-8-5-2)27(23)31-21-17-16-20-26(29)30-6-3/h22,24,27H,4-13,15-17,19-21H2,1-3H3/t24-,27-/m0/s1