2-phenyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanoic acid

Systemtic Name: 2-phenyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-ethanoic acid Openeye Name: 2-phenyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-acetic acid CAS Name: 2-phenyl-2-[[3-(trifluoromethyl)phenyl]thio]acetic acid IUPAC Name: 2-phenyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetic acid Traditional Name: 2-phenyl-2-[[3-(trifluoromethyl)phenyl]thio]acetic acid Formula: C15H11F3O2S MolecularWeight: 312.30685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H11F3O2S/c16-15(17,18)11-7-4-8-12(9-11)21-13(14(19)20)10-5-2-1-3-6-10/h1-9,13H,(H,19,20)