2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-phenyl)sulfonylmethyl]-2-oxidanyl-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[(5-chloro-2-phenyl-phenyl)sulfonylmethyl]-2-hydroxy-3-phenylsulfanyl-propanoic acid CAS Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-(phenylthio)propanoic acid IUPAC Name: 2-[(5-chloro-2-phenylphenyl)sulfonylmethyl]-2-hydroxy-3-phenylsulfanylpropanoic acid Traditional Name: 2-[(5-chloro-2-phenyl-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)C2=C(C=C(C=C2)Cl)S(=O)(=O)CC(CSC3=CC=CC=C3)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)S(=O)(=O)CC(CSC3=CC=CC=C3)(C(=O)O)O

InChI

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