2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylethanoic acid

Systemtic Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylacetic acid CAS Name: 2-[[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]thio]acetic acid IUPAC Name: 2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]thio]acetic acid Formula: C21H15F3O2S MolecularWeight: 388.40281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)SCC(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)SCC(=O)O)F

InChI

InChI=1S/C21H15F3O2S/c22-16-9-5-14(6-10-16)21(27-13-20(25)26,15-7-11-17(23)12-8-15)18-3-1-2-4-19(18)24/h1-12H,13H2,(H,25,26)