sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoate

Systemtic Name: sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoate Openeye Name: sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanyl-propanoate CAS Name: sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propanoate IUPAC Name: sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-phenylsulfanylpropanoate Traditional Name: sodium 2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-3-(phenylthio)propionate Formula: C22H18ClNaO4S2 MolecularWeight: 468.94869

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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-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H19ClO4S2.Na/c23-19-10-6-16(7-11-19)17-8-12-21(13-9-17)29(26,27)15-18(22(24)25)14-28-20-4-2-1-3-5-20;/h1-13,18H,14-15H2,(H,24,25);/q;+1/p-1