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

Systemtic Name: calcium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoic acid Openeye Name: calcium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanyl-propanoic acid CAS Name: calcium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propanoic acid IUPAC Name: calcium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-phenylsulfanylpropanoic acid Traditional Name: calcium (2R)-2-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2-methyl-3-(phenylthio)propionic acid Formula: C23H21CaClO4S2+2 MolecularWeight: 501.07144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O.[Ca+2]

Isomeric SMILES

C[C@@](CSC1=CC=CC=C1)(CS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O.[Ca+2]

InChI

InChI=1S/C23H21ClO4S2.Ca/c1-23(22(25)26,15-29-20-5-3-2-4-6-20)16-30(27,28)21-13-9-18(10-14-21)17-7-11-19(24)12-8-17;/h2-14H,15-16H2,1H3,(H,25,26);/q;+2/t23-;/m1./s1