[(E,2R,3R)-2-oxidanyl-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate

Systemtic Name: [(E,2R,3R)-2-oxidanyl-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate Openeye Name: [(E,2R,3R)-3-benzoyloxy-2-hydroxy-octadec-4-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-3-benzoyloxy-2-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2R,3R)-3-benzoyloxy-2-hydroxyoctadec-4-enyl] benzoate Traditional Name: benzoic acid [(E,2R,3R)-3-benzoyloxy-2-hydroxy-octadec-4-enyl] ester Formula: C32H44O5 MolecularWeight: 508.68876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C1=CC=CC=C1)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COC(=O)C1=CC=CC=C1)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C32H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-25-30(37-32(35)28-23-18-15-19-24-28)29(33)26-36-31(34)27-21-16-14-17-22-27/h14-25,29-30,33H,2-13,26H2,1H3/b25-20+/t29-,30-/m1/s1