2-[3-fluoranyl-5-(trifluoromethyl)phenyl]ethanamine; 4-methylbenzenesulfonate

Systemtic Name: 2-[3-fluoranyl-5-(trifluoromethyl)phenyl]ethanamine; 4-methylbenzenesulfonate Openeye Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine; 4-methylbenzenesulfonate CAS Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine; 4-methylbenzenesulfonate IUPAC Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine; 4-methylbenzenesulfonate Traditional Name: 2-[3-fluoro-5-(trifluoromethyl)phenyl]ethylamine tosylate Formula: C16H16F4NO3S- MolecularWeight: 378.361753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(C=C(C=C1C(F)(F)F)F)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(C=C(C=C1C(F)(F)F)F)CCN

InChI

InChI=1S/C9H9F4N.C7H8O3S/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2,14H2;2-5H,1H3,(H,8,9,10)/p-1