(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C22H20O5S MolecularWeight: 396.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H20O5S/c1-16-6-10-20(11-7-16)28(25,26)13-12-22(24)27-15-21(23)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14H,12-13,15H2,1H3