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

Systemtic Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylaniline Openeye Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylaniline CAS Name: 4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]aniline IUPAC Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylaniline Traditional Name: [4-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]phenyl]amine Formula: C13H8F3N3O4S MolecularWeight: 359.28053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H8F3N3O4S/c14-13(15,16)7-5-10(18(20)21)12(11(6-7)19(22)23)24-9-3-1-8(17)2-4-9/h1-6H,17H2