oxidanium; ditert-butyl(2-ditert-butylphosphaniumylethyl)phosphanium; (phenylmethylidene)ruthenium(1+); tris(fluoranyl)methanesulfonic acid

Systemtic Name: oxidanium; ditert-butyl(2-ditert-butylphosphaniumylethyl)phosphanium; (phenylmethylidene)ruthenium(1+); tris(fluoranyl)methanesulfonic acid Openeye Name: oxonium; benzylideneruthenium(1+); ditert-butyl(2-ditert-butylphosphaniumylethyl)phosphonium; trifluoromethanesulfonic acid CAS Name: oxonium; ditert-butyl(2-ditert-butylphosphiniumylethyl)phosphonium; (phenylmethylene)ruthenium(1+); trifluoromethanesulfonic acid IUPAC Name: oxidanium; benzylideneruthenium(1+); ditert-butyl(2-ditert-butylphosphaniumylethyl)phosphanium; trifluoromethanesulfonic acid Traditional Name: oxonium; benzalruthenium(1+); ditert-butyl(2-ditert-butylphosphiniumylethyl)phosphonium; triflic acid Formula: C26H52F3O4P2RuS+4 MolecularWeight: 680.766412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[PH+](CC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C=[Ru+].C(F)(F)(F)S(=O)(=O)O.[OH3+]

Isomeric SMILES

CC(C)(C)[PH+](CC[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C.C1=CC=C(C=C1)C=[Ru+].C(F)(F)(F)S(=O)(=O)O.[OH3+]

InChI

InChI=1S/C18H40P2.C7H6.CHF3O3S.H2O.Ru/c1-15(2,3)19(16(4,5)6)13-14-20(17(7,8)9)18(10,11)12;1-7-5-3-2-4-6-7;2-1(3,4)8(5,6)7;;/h13-14H2,1-12H3;1-6H;(H,5,6,7);1H2;/q;;;;+1/p+3