2-[2-(2-chloranyl-4-methylsulfonyl-phenyl)sulfanyl-4-fluoranyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2-(2-chloranyl-4-methylsulfonyl-phenyl)sulfanyl-4-fluoranyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2-(2-chloro-4-methylsulfonyl-phenyl)sulfanyl-4-fluoro-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2-[(2-chloro-4-methylsulfonylphenyl)thio]-4-fluorophenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2-(2-chloro-4-methylsulfonylphenyl)sulfanyl-4-fluorophenoxy]-2-methylpropanoic acid Traditional Name: 2-[2-[(2-chloro-4-mesyl-phenyl)thio]-4-fluoro-phenoxy]-2-methyl-propionic acid Formula: C17H16ClFO5S2 MolecularWeight: 418.887343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=C(C=C(C=C1)F)SC2=C(C=C(C=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)(C(=O)O)OC1=C(C=C(C=C1)F)SC2=C(C=C(C=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C17H16ClFO5S2/c1-17(2,16(20)21)24-13-6-4-10(19)8-15(13)25-14-7-5-11(9-12(14)18)26(3,22)23/h4-9H,1-3H3,(H,20,21)