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

Systemtic Name: [3-decanoyloxy-2-(4-methylphenyl)sulfonyloxy-propyl] docosanoate Openeye Name: [3-decanoyloxy-2-(p-tolylsulfonyloxy)propyl] docosanoate CAS Name: docosanoic acid [2-(4-methylphenyl)sulfonyloxy-3-(1-oxodecoxy)propyl] ester IUPAC Name: [3-decanoyloxy-2-(4-methylphenyl)sulfonyloxypropyl] docosanoate Traditional Name: behenic acid (3-capryloxy-2-tosyloxy-propyl) ester Formula: C42H74O7S MolecularWeight: 723.09776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C42H74O7S/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-42(44)48-37-39(49-50(45,46)40-34-32-38(3)33-35-40)36-47-41(43)30-28-26-24-11-9-7-5-2/h32-35,39H,4-31,36-37H2,1-3H3