[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24O5S MolecularWeight: 388.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24O5S/c1-4-17-7-9-18(10-8-17)21(23)16(3)26-20(22)13-14-27(24,25)19-11-5-15(2)6-12-19/h5-12,16H,4,13-14H2,1-3H3