[1-icosoxy-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] benzoate

Systemtic Name: [1-icosoxy-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] benzoate Openeye Name: [1-(icosoxymethyl)-2-(p-tolylsulfonyloxy)ethyl] benzoate CAS Name: benzoic acid [1-eicosoxy-3-(4-methylphenyl)sulfonyloxypropan-2-yl] ester IUPAC Name: [1-icosoxy-3-(4-methylphenyl)sulfonyloxypropan-2-yl] benzoate Traditional Name: benzoic acid [1-(arachyloxymethyl)-2-tosyloxy-ethyl] ester Formula: C37H58O6S MolecularWeight: 630.91782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C37H58O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-41-31-35(43-37(38)34-24-21-20-22-25-34)32-42-44(39,40)36-28-26-33(2)27-29-36/h20-22,24-29,35H,3-19,23,30-32H2,1-2H3