2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]pyrimidin-4-olate Formula: C11H4F3N4O5S- MolecularWeight: 361.23347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1[O-])SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H5F3N4O5S/c12-11(13,14)5-3-6(17(20)21)9(7(4-5)18(22)23)24-10-15-2-1-8(19)16-10/h1-4H,(H,15,16,19)/p-1