3,3,3-tris(fluoranyl)-2-[(3-nitrophenyl)sulfanylmethyl]-2-oxidanyl-propanoic acid

Systemtic Name: 3,3,3-tris(fluoranyl)-2-[(3-nitrophenyl)sulfanylmethyl]-2-oxidanyl-propanoic acid Openeye Name: 3,3,3-trifluoro-2-hydroxy-2-[(3-nitrophenyl)sulfanylmethyl]propanoic acid CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[[(3-nitrophenyl)thio]methyl]propanoic acid IUPAC Name: 3,3,3-trifluoro-2-hydroxy-2-[(3-nitrophenyl)sulfanylmethyl]propanoic acid Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[[(3-nitrophenyl)thio]methyl]propionic acid Formula: C10H8F3NO5S MolecularWeight: 311.23443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(C(=O)O)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SCC(C(=O)O)(C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3NO5S/c11-10(12,13)9(17,8(15)16)5-20-7-3-1-2-6(4-7)14(18)19/h1-4,17H,5H2,(H,15,16)