[2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-propyl] docosanoate

Systemtic Name: [2-(4-methylphenyl)sulfonyloxy-3-oxidanyl-propyl] docosanoate Openeye Name: [3-hydroxy-2-(p-tolylsulfonyloxy)propyl] docosanoate CAS Name: docosanoic acid [3-hydroxy-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [3-hydroxy-2-(4-methylphenyl)sulfonyloxypropyl] docosanoate Traditional Name: behenic acid (3-hydroxy-2-tosyloxy-propyl) ester Formula: C32H56O6S MolecularWeight: 568.84844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C32H56O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(34)37-28-30(27-33)38-39(35,36)31-25-23-29(2)24-26-31/h23-26,30,33H,3-22,27-28H2,1-2H3