8-[(1S,2R)-2-oct-4-ynylcyclopentyl]octanoate

Systemtic Name: 8-[(1S,2R)-2-oct-4-ynylcyclopentyl]octanoate Openeye Name: 8-[(1S,2R)-2-oct-4-ynylcyclopentyl]octanoate CAS Name: 8-[(1S,2R)-2-oct-4-ynylcyclopentyl]octanoate IUPAC Name: 8-[(1S,2R)-2-oct-4-ynylcyclopentyl]octanoate Traditional Name: 8-[(1S,2R)-2-oct-4-ynylcyclopentyl]caprylate Formula: C21H35O2- MolecularWeight: 319.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCC1CCCC1CCCCCCCC(=O)[O-]

Isomeric SMILES

CCCC#CCCC[C@H]1CCC[C@@H]1CCCCCCCC(=O)[O-]

InChI

InChI=1S/C21H36O2/c1-2-3-4-5-7-10-14-19-16-13-17-20(19)15-11-8-6-9-12-18-21(22)23/h19-20H,2-3,6-18H2,1H3,(H,22,23)/p-1/t19-,20-/m0/s1