benzenesulfonic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine

Systemtic Name: benzenesulfonic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine Openeye Name: benzenesulfonic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine CAS Name: benzenesulfonic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine IUPAC Name: benzenesulfonic acid; 1-[4-(trifluoromethyl)phenyl]ethanamine Traditional Name: besylic acid; 1-[4-(trifluoromethyl)phenyl]ethylamine Formula: C15H16F3NO3S MolecularWeight: 347.35265

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(F)(F)F)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(F)(F)F)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H10F3N.C6H6O3S/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;7-10(8,9)6-4-2-1-3-5-6/h2-6H,13H2,1H3;1-5H,(H,7,8,9)