[4-(2-adamantyloxysulfonyl)phenyl]-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-adamantyloxysulfonyl)phenyl]-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-adamantyloxysulfonyl)phenyl]-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: [4-(2-adamantyloxysulfonyl)phenyl]-trimethylammonium; trifluoromethanesulfonate IUPAC Name: [4-(2-adamantyloxysulfonyl)phenyl]-trimethylazanium; trifluoromethanesulfonate Traditional Name: [4-(2-adamantyloxysulfonyl)phenyl]-trimethyl-ammonium triflate Formula: C20H28F3NO6S2 MolecularWeight: 499.56463

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC(C3)CC2C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC(C3)CC2C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H28NO3S.CHF3O3S/c1-20(2,3)17-4-6-18(7-5-17)24(21,22)23-19-15-9-13-8-14(11-15)12-16(19)10-13;2-1(3,4)8(5,6)7/h4-7,13-16,19H,8-12H2,1-3H3;(H,5,6,7)/q+1;/p-1