(2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoic acid Openeye Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-phenylsulfanyl-propanoic acid CAS Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(phenylthio)propanoic acid IUPAC Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-phenylsulfanylpropanoic acid Traditional Name: (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-hydroxy-3-(phenylthio)propionic acid Formula: C22H19ClO5S2 MolecularWeight: 462.96626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC[C@@](CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)(C(=O)O)O

InChI

InChI=1S/C22H19ClO5S2/c23-18-10-6-16(7-11-18)17-8-12-20(13-9-17)30(27,28)15-22(26,21(24)25)14-29-19-4-2-1-3-5-19/h1-13,26H,14-15H2,(H,24,25)/t22-/m1/s1