(3,5-dimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: (3,5-dimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: (3,5-dimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid (3,5-dimethylphenyl) ester Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H17ClO4S/c1-12-9-13(2)11-15(10-12)22-17(19)7-8-23(20,21)16-5-3-14(18)4-6-16/h3-6,9-11H,7-8H2,1-2H3