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

Systemtic Name: [(E,2R,3R)-2-methylsulfonyloxy-3-(phenylcarbonyloxy)octadec-4-enyl] benzoate Openeye Name: [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxy-octadec-4-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxyoctadec-4-enyl] ester IUPAC Name: [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxyoctadec-4-enyl] benzoate Traditional Name: benzoic acid [(E,2R,3R)-3-benzoyloxy-2-methylsulfonyloxy-octadec-4-enyl] ester Formula: C33H46O7S MolecularWeight: 586.77914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30(39-33(35)29-24-19-16-20-25-29)31(40-41(2,36)37)27-38-32(34)28-22-17-15-18-23-28/h15-26,30-31H,3-14,27H2,1-2H3/b26-21+/t30-,31-/m1/s1