2-[3-chloranyl-5-[2-fluoranyl-4-(phenylsulfonyl)phenyl]sulfanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-[2-fluoranyl-4-(phenylsulfonyl)phenyl]sulfanyl-phenyl]ethanoic acid Openeye Name: 2-[3-[4-(benzenesulfonyl)-2-fluoro-phenyl]sulfanyl-5-chloro-phenyl]acetic acid CAS Name: 2-[3-[[4-(benzenesulfonyl)-2-fluorophenyl]thio]-5-chlorophenyl]acetic acid IUPAC Name: 2-[3-[4-(benzenesulfonyl)-2-fluorophenyl]sulfanyl-5-chlorophenyl]acetic acid Traditional Name: 2-[3-[(4-besyl-2-fluoro-phenyl)thio]-5-chloro-phenyl]acetic acid Formula: C20H14ClFO4S2 MolecularWeight: 436.904163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC(=CC(=C3)CC(=O)O)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=CC(=CC(=C3)CC(=O)O)Cl)F

InChI

InChI=1S/C20H14ClFO4S2/c21-14-8-13(10-20(23)24)9-15(11-14)27-19-7-6-17(12-18(19)22)28(25,26)16-4-2-1-3-5-16/h1-9,11-12H,10H2,(H,23,24)