[(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] octanoate

Systemtic Name: [(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] octanoate Openeye Name: [(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] octanoate CAS Name: octanoic acid [(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] ester IUPAC Name: [(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] octanoate Traditional Name: caprylic acid [(3R)-7-methyl-3-(trifluoromethyl)oct-6-enyl] ester Formula: C18H31F3O2 MolecularWeight: 336.43275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC(CCC=C(C)C)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)OCC[C@@H](CCC=C(C)C)C(F)(F)F

InChI

InChI=1S/C18H31F3O2/c1-4-5-6-7-8-12-17(22)23-14-13-16(18(19,20)21)11-9-10-15(2)3/h10,16H,4-9,11-14H2,1-3H3/t16-/m1/s1