8-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylquinoline

Systemtic Name: 8-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylquinoline Openeye Name: 8-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylquinoline CAS Name: 8-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]quinoline IUPAC Name: 8-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylquinoline Traditional Name: 8-[(2-nitro-4-triflyl-phenyl)thio]quinoline Formula: C16H9F3N2O4S2 MolecularWeight: 414.37887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9F3N2O4S2/c17-16(18,19)27(24,25)11-6-7-13(12(9-11)21(22)23)26-14-5-1-3-10-4-2-8-20-15(10)14/h1-9H