methyl-(4-sulfobutyl)-sulfonyl-azanium; 2-(trifluoromethyl)aniline

Systemtic Name: methyl-(4-sulfobutyl)-sulfonyl-azanium; 2-(trifluoromethyl)aniline Openeye Name: methyl-(4-sulfobutyl)-sulfonyl-ammonium; 2-(trifluoromethyl)aniline CAS Name: methyl-(4-sulfobutyl)-sulfonylammonium; 2-(trifluoromethyl)aniline IUPAC Name: methyl-(4-sulfobutyl)-sulfonylazanium; 2-(trifluoromethyl)aniline Traditional Name: methyl-(4-sulfobutyl)-sulfonyl-ammonium; [2-(trifluoromethyl)phenyl]amine Formula: C12H18F3N2O5S2+ MolecularWeight: 391.40693

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)CCCCS(=O)(=O)O.C1=CC=C(C(=C1)C(F)(F)F)N

Isomeric SMILES

C[N+](=S(=O)=O)CCCCS(=O)(=O)O.C1=CC=C(C(=C1)C(F)(F)F)N

InChI

InChI=1S/C7H6F3N.C5H11NO5S2/c8-7(9,10)5-3-1-2-4-6(5)11;1-6(12(7)8)4-2-3-5-13(9,10)11/h1-4H,11H2;2-5H2,1H3/p+1