2-[(4-chlorophenyl)methylsulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(4-chlorophenyl)methylsulfonyl]propanoic acid CAS Name: 2-[(4-chlorophenyl)methylsulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[(4-chlorophenyl)methylsulfonyl]propanoic acid Traditional Name: 2-benzyl-3-(4-chlorobenzyl)sulfonyl-propionic acid Formula: C17H17ClO4S MolecularWeight: 352.83248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H17ClO4S/c18-16-8-6-14(7-9-16)11-23(21,22)12-15(17(19)20)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2,(H,19,20)