phenacyl 3-(3,4-dimethylphenyl)sulfonylpropanoate

Systemtic Name: phenacyl 3-(3,4-dimethylphenyl)sulfonylpropanoate Openeye Name: phenacyl 3-(3,4-dimethylphenyl)sulfonylpropanoate CAS Name: 3-(3,4-dimethylphenyl)sulfonylpropanoic acid phenacyl ester IUPAC Name: phenacyl 3-(3,4-dimethylphenyl)sulfonylpropanoate Traditional Name: 3-(3,4-dimethylphenyl)sulfonylpropionic acid phenacyl ester Formula: C19H20O5S MolecularWeight: 360.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20O5S/c1-14-8-9-17(12-15(14)2)25(22,23)11-10-19(21)24-13-18(20)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3