2-(1-adamantylcarbonyloxy)-1,1-bis(fluoranyl)ethanesulfonate; triphenylsulfanium

Systemtic Name: 2-(1-adamantylcarbonyloxy)-1,1-bis(fluoranyl)ethanesulfonate; triphenylsulfanium Openeye Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoro-ethanesulfonate; triphenylsulfonium CAS Name: 2-[1-adamantyl(oxo)methoxy]-1,1-difluoroethanesulfonate; triphenylsulfonium IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate; triphenylsulfanium Traditional Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoro-ethanesulfonate; triphenylsulfonium Formula: C31H32F2O5S2 MolecularWeight: 586.709586

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(F)(F)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(F)(F)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H15S.C13H18F2O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12/h1-15H;8-10H,1-7H2,(H,17,18,19)/q+1;/p-1