4-[4-azanyl-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline sulfate

Systemtic Name: 4-[4-azanyl-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline sulfate Openeye Name: 4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline sulfate CAS Name: 4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline sulfate IUPAC Name: 4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline sulfate Traditional Name: [4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]amine sulfate Formula: C14H10F6N2O4S-2 MolecularWeight: 416.295619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)N)C(F)(F)F)C(F)(F)F)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H10F6N2.H2O4S/c15-13(16,17)9-5-7(1-3-11(9)21)8-2-4-12(22)10(6-8)14(18,19)20;1-5(2,3)4/h1-6H,21-22H2;(H2,1,2,3,4)/p-2