3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-(p-tolylsulfonyl)propanoic acid CAS Name: 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpropanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpropanoic acid Traditional Name: 3-(4-chlorophenyl)-2-tosyl-propionic acid Formula: C16H15ClO4S MolecularWeight: 338.8059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H15ClO4S/c1-11-2-8-14(9-3-11)22(20,21)15(16(18)19)10-12-4-6-13(17)7-5-12/h2-9,15H,10H2,1H3,(H,18,19)