2-[3,5-bis(trifluoromethyl)phenoxy]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenoxy]-2-sulfanyl-ethanoic acid Openeye Name: 2-[3,5-bis(trifluoromethyl)phenoxy]-2-sulfanyl-acetic acid CAS Name: 2-[3,5-bis(trifluoromethyl)phenoxy]-2-mercaptoacetic acid IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenoxy]-2-sulfanylacetic acid Traditional Name: 2-[3,5-bis(trifluoromethyl)phenoxy]-2-mercapto-acetic acid Formula: C10H6F6O3S MolecularWeight: 320.208259

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)OC(C(=O)O)S)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)OC(C(=O)O)S)C(F)(F)F

InChI

InChI=1S/C10H6F6O3S/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)19-8(20)7(17)18/h1-3,8,20H,(H,17,18)