[(2S)-2-hexadecoxy-3-phenylmethoxy-propyl] hexadecanoate

Systemtic Name: [(2S)-2-hexadecoxy-3-phenylmethoxy-propyl] hexadecanoate Openeye Name: [(2S)-3-benzyloxy-2-hexadecoxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-2-hexadecoxy-3-phenylmethoxypropyl] ester IUPAC Name: [(2S)-2-hexadecoxy-3-phenylmethoxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-3-benzoxy-2-cetyloxy-propyl] ester Formula: C42H76O4 MolecularWeight: 645.05044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@@H](COCC1=CC=CC=C1)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C42H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-45-41(38-44-37-40-33-29-28-30-34-40)39-46-42(43)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h28-30,33-34,41H,3-27,31-32,35-39H2,1-2H3/t41-/m0/s1