[3-(2-methylphenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 2,2-dimethylbutanoate

Systemtic Name: [3-(2-methylphenoxy)-2-(4-methylphenyl)sulfonyloxy-propyl] 2,2-dimethylbutanoate Openeye Name: [3-(2-methylphenoxy)-2-(p-tolylsulfonyloxy)propyl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [3-(2-methylphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [3-(2-methylphenoxy)-2-(4-methylphenyl)sulfonyloxypropyl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [3-(2-methylphenoxy)-2-tosyloxy-propyl] ester Formula: C23H30O6S MolecularWeight: 434.5457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC(COC1=CC=CC=C1C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)(C)C(=O)OCC(COC1=CC=CC=C1C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H30O6S/c1-6-23(4,5)22(24)28-16-19(15-27-21-10-8-7-9-18(21)3)29-30(25,26)20-13-11-17(2)12-14-20/h7-14,19H,6,15-16H2,1-5H3