2-azanyl-3-(4-hydroxyphenyl)propanoic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; tris(fluoranyl)methanesulfonate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; trifluoromethanesulfonate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; trifluoromethanesulfonate IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; trifluoromethanesulfonate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid triflate Formula: C10H11F3NO6S- MolecularWeight: 330.25765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO3.CHF3O3S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2-1(3,4)8(5,6)7/h1-4,8,11H,5,10H2,(H,12,13);(H,5,6,7)/p-1