tris(fluoranyl)methanesulfonate; tris[(2R)-3-methyl-2-oxidanyl-butyl]-(phenylmethyl)azanium

Systemtic Name: tris(fluoranyl)methanesulfonate; tris[(2R)-3-methyl-2-oxidanyl-butyl]-(phenylmethyl)azanium Openeye Name: benzyl-tris[(2R)-2-hydroxy-3-methyl-butyl]ammonium; trifluoromethanesulfonate CAS Name: trifluoromethanesulfonate; tris[(2R)-2-hydroxy-3-methylbutyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-tris[(2R)-2-hydroxy-3-methylbutyl]azanium; trifluoromethanesulfonate Traditional Name: benzyl-tris[(2R)-2-hydroxy-3-methyl-butyl]ammonium triflate Formula: C23H40F3NO6S MolecularWeight: 515.62701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[N+](CC1=CC=CC=C1)(CC(C(C)C)O)CC(C(C)C)O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)[C@H](C[N+](CC1=CC=CC=C1)(C[C@@H](C(C)C)O)C[C@@H](C(C)C)O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H40NO3.CHF3O3S/c1-16(2)20(24)13-23(14-21(25)17(3)4,15-22(26)18(5)6)12-19-10-8-7-9-11-19;2-1(3,4)8(5,6)7/h7-11,16-18,20-22,24-26H,12-15H2,1-6H3;(H,5,6,7)/q+1;/p-1/t20-,21-,22-;/m0./s1