3-[4-chloranyl-2-[3-fluoranyl-4-(phenylsulfonyl)phenyl]phenyl]propanoic acid

Systemtic Name: 3-[4-chloranyl-2-[3-fluoranyl-4-(phenylsulfonyl)phenyl]phenyl]propanoic acid Openeye Name: 3-[2-[4-(benzenesulfonyl)-3-fluoro-phenyl]-4-chloro-phenyl]propanoic acid CAS Name: 3-[2-[4-(benzenesulfonyl)-3-fluorophenyl]-4-chlorophenyl]propanoic acid IUPAC Name: 3-[2-[4-(benzenesulfonyl)-3-fluorophenyl]-4-chlorophenyl]propanoic acid Traditional Name: 3-[2-(4-besyl-3-fluoro-phenyl)-4-chloro-phenyl]propionic acid Formula: C21H16ClFO4S MolecularWeight: 418.865743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFO4S/c22-16-9-6-14(8-11-21(24)25)18(13-16)15-7-10-20(19(23)12-15)28(26,27)17-4-2-1-3-5-17/h1-7,9-10,12-13H,8,11H2,(H,24,25)