[(2S)-2-docosanoyloxy-3-phenylmethoxy-propyl] docosanoate; (2R)-3-phenylmethoxypropane-1,2-diol

Systemtic Name: [(2S)-2-docosanoyloxy-3-phenylmethoxy-propyl] docosanoate; (2R)-3-phenylmethoxypropane-1,2-diol Openeye Name: [(2S)-3-benzyloxy-2-docosanoyloxy-propyl] docosanoate; (2R)-3-benzyloxypropane-1,2-diol CAS Name: docosanoic acid [(2S)-2-(1-oxodocosoxy)-3-phenylmethoxypropyl] ester; (2R)-3-phenylmethoxypropane-1,2-diol IUPAC Name: [(2S)-2-docosanoyloxy-3-phenylmethoxypropyl] docosanoate; (2R)-3-phenylmethoxypropane-1,2-diol Traditional Name: behenic acid [(2S)-3-benzoxy-2-docosanoyloxy-propyl] ester; (2R)-3-benzoxypropane-1,2-diol Formula: C64H112O8 MolecularWeight: 1009.56928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCCCC.C1=CC=C(C=C1)COCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCCCC.C1=CC=C(C=C1)COC[C@@H](CO)O

InChI

InChI=1S/C54H98O5.C10H14O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-53(55)58-50-52(49-57-48-51-44-40-39-41-45-51)59-54(56)47-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;11-6-10(12)8-13-7-9-4-2-1-3-5-9/h39-41,44-45,52H,3-38,42-43,46-50H2,1-2H3;1-5,10-12H,6-8H2/t52-;10-/m01/s1