2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4-hydroxyphenyl)sulfanyl-propanoic acid

Systemtic Name: 2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4-hydroxyphenyl)sulfanyl-propanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4-hydroxyphenyl)sulfanyl-propanoic acid CAS Name: 2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(4-hydroxyphenyl)thio]propanoic acid IUPAC Name: 2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(4-hydroxyphenyl)sulfanylpropanoic acid Traditional Name: 2-[[2-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-[(4-hydroxyphenyl)thio]propionic acid Formula: C22H19ClO5S2 MolecularWeight: 462.96626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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