3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 3-[(3,4-difluorophenyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(3,4-difluorophenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(3,4-difluorophenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(3,4-difluorophenyl)thio]methyl]benzoic acid Formula: C14H10F2O2S MolecularWeight: 280.289806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC(=C(C=C2)F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC(=C(C=C2)F)F)C(=O)O

InChI

InChI=1S/C14H10F2O2S/c15-12-5-4-11(7-13(12)16)19-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H,17,18)