3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropane-1,2-diol

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropane-1,2-diol Openeye Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropane-1,2-diol CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]propane-1,2-diol IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpropane-1,2-diol Traditional Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]propane-1,2-diol Formula: C10H10F3NO4S MolecularWeight: 297.25091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(CO)O

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(CO)O

InChI

InChI=1S/C10H10F3NO4S/c11-10(12,13)6-1-2-9(8(3-6)14(17)18)19-5-7(16)4-15/h1-3,7,15-16H,4-5H2