8-[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]sulfanylquinoline

Systemtic Name: 8-[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]sulfanylquinoline Openeye Name: 8-[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]sulfanylquinoline CAS Name: 8-[[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]thio]quinoline IUPAC Name: 8-[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]sulfanylquinoline Traditional Name: 8-[[2,6-dinitro-4-[(R)-trifluoromethylsulfinyl]phenyl]thio]quinoline Formula: C16H8F3N3O5S2 MolecularWeight: 443.37703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])S(=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])[S@@](=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H8F3N3O5S2/c17-16(18,19)29(27)10-7-11(21(23)24)15(12(8-10)22(25)26)28-13-5-1-3-9-4-2-6-20-14(9)13/h1-8H/t29-/m1/s1