[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H26O5S MolecularWeight: 402.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H26O5S/c1-14-6-8-19(9-7-14)28(25,26)11-10-21(23)27-18(5)22(24)20-13-16(3)15(2)12-17(20)4/h6-9,12-13,18H,10-11H2,1-5H3