2-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylphenoxy]propanoic acid

Systemtic Name: 2-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylphenoxy]propanoic acid Openeye Name: 2-[4-[[2,6-bis(trifluoromethyl)-4-pyridyl]sulfanyl]phenoxy]propanoic acid CAS Name: 2-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]thio]phenoxy]propanoic acid IUPAC Name: 2-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]sulfanylphenoxy]propanoic acid Traditional Name: 2-[4-[[2,6-bis(trifluoromethyl)-4-pyridyl]thio]phenoxy]propionic acid Formula: C16H11F6NO3S MolecularWeight: 411.318859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)SC2=CC(=NC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)SC2=CC(=NC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO3S/c1-8(14(24)25)26-9-2-4-10(5-3-9)27-11-6-12(15(17,18)19)23-13(7-11)16(20,21)22/h2-8H,1H3,(H,24,25)