tris(fluoranyl)methanesulfonate; tris[2-(4-methanoylphenoxy)ethyl]-methyl-azanium

Systemtic Name: tris(fluoranyl)methanesulfonate; tris[2-(4-methanoylphenoxy)ethyl]-methyl-azanium Openeye Name: trifluoromethanesulfonate; tris[2-(4-formylphenoxy)ethyl]-methyl-ammonium CAS Name: trifluoromethanesulfonate; tris[2-(4-formylphenoxy)ethyl]-methylammonium IUPAC Name: trifluoromethanesulfonate; tris[2-(4-formylphenoxy)ethyl]-methylazanium Traditional Name: tris[2-(4-formylphenoxy)ethyl]-methyl-ammonium triflate Formula: C29H30F3NO9S MolecularWeight: 625.61001

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CCOC1=CC=C(C=C1)C=O)(CCOC2=CC=C(C=C2)C=O)CCOC3=CC=C(C=C3)C=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](CCOC1=CC=C(C=C1)C=O)(CCOC2=CC=C(C=C2)C=O)CCOC3=CC=C(C=C3)C=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H30NO6.CHF3O3S/c1-29(14-17-33-26-8-2-23(20-30)3-9-26,15-18-34-27-10-4-24(21-31)5-11-27)16-19-35-28-12-6-25(22-32)7-13-28;2-1(3,4)8(5,6)7/h2-13,20-22H,14-19H2,1H3;(H,5,6,7)/q+1;/p-1