3-[3-[2-chloranyl-4-(trifluoromethyl)phenyl]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-[2-chloranyl-4-(trifluoromethyl)phenyl]phenyl]sulfanylpropanoic acid Openeye Name: 3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenyl]sulfanylpropanoic acid CAS Name: 3-[[3-[2-chloro-4-(trifluoromethyl)phenyl]phenyl]thio]propanoic acid IUPAC Name: 3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[3-[2-chloro-4-(trifluoromethyl)phenyl]phenyl]thio]propionic acid Formula: C16H12ClF3O2S MolecularWeight: 360.77849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCC(=O)O)C2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)SCCC(=O)O)C2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C16H12ClF3O2S/c17-14-9-11(16(18,19)20)4-5-13(14)10-2-1-3-12(8-10)23-7-6-15(21)22/h1-5,8-9H,6-7H2,(H,21,22)