[4-(1-adamantylcarbonyloxy)phenyl]sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(1-adamantylcarbonyloxy)phenyl]sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(adamantane-1-carbonyloxy)phenyl]sulfonium; trifluoromethanesulfonate CAS Name: [4-[1-adamantyl(oxo)methoxy]phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: [4-(adamantane-1-carbonyloxy)phenyl]sulfanium; trifluoromethanesulfonate Traditional Name: [4-(adamantane-1-carbonyloxy)phenyl]sulfonium triflate Formula: C18H21F3O5S2 MolecularWeight: 438.48155

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=C(C=C4)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=C(C=C4)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20O2S.CHF3O3S/c18-16(19-14-1-3-15(20)4-2-14)17-8-11-5-12(9-17)7-13(6-11)10-17;2-1(3,4)8(5,6)7/h1-4,11-13,20H,5-10H2;(H,5,6,7)