[1-(16-fluoranylhexadecoxy)-3-phenylmethoxy-propan-2-yl] octanoate

Systemtic Name: [1-(16-fluoranylhexadecoxy)-3-phenylmethoxy-propan-2-yl] octanoate Openeye Name: [1-(benzyloxymethyl)-2-(16-fluoranylhexadecoxy)ethyl] octanoate CAS Name: octanoic acid [1-(16-fluoranylhexadecoxy)-3-phenylmethoxypropan-2-yl] ester IUPAC Name: [1-(16-fluoranylhexadecoxy)-3-phenylmethoxypropan-2-yl] octanoate Traditional Name: caprylic acid [1-(benzoxymethyl)-2-(16-fluoranylhexadecoxy)ethyl] ester Formula: C34H59FO4 MolecularWeight: 549.830798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCCF)COCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC[18F])COCC1=CC=CC=C1

InChI

InChI=1S/C34H59FO4/c1-2-3-4-15-21-26-34(36)39-33(31-38-29-32-24-19-18-20-25-32)30-37-28-23-17-14-12-10-8-6-5-7-9-11-13-16-22-27-35/h18-20,24-25,33H,2-17,21-23,26-31H2,1H3/i35-1