2-diphenylphosphanylethyl 4-tert-butyl-2-methyl-cyclopentane-1-carboxylate; ethanenitrile; ruthenium(1+); triphenyl phosphite; hexafluorophosphate

Systemtic Name: 2-diphenylphosphanylethyl 4-tert-butyl-2-methyl-cyclopentane-1-carboxylate; ethanenitrile; ruthenium(1+); triphenyl phosphite; hexafluorophosphate Openeye Name: acetonitrile; 2-diphenylphosphanylethyl 4-tert-butyl-2-methyl-cyclopentanecarboxylate; ruthenium(1+); triphenyl phosphite; hexafluorophosphate CAS Name: acetonitrile; 4-tert-butyl-2-methyl-1-cyclopentanecarboxylic acid 2-diphenylphosphinoethyl ester; phosphorous acid triphenyl ester; ruthenium(1+); hexafluorophosphate IUPAC Name: acetonitrile; 2-diphenylphosphanylethyl 4-tert-butyl-2-methylcyclopentane-1-carboxylate; ruthenium(1+); triphenyl phosphite; hexafluorophosphate Traditional Name: acetonitrile; 4-tert-butyl-2-methyl-cyclopentanecarboxylic acid 2-diphenylphosphinoethyl ester; phosphorous acid triphenyl ester; ruthenium(1+); hexafluorophosphate Formula: C45H46F6NO5P3Ru MolecularWeight: 988.832142

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C[C]1[CH][C]([CH][C]1C(=O)OCCP(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Ru+]

Isomeric SMILES

CC#N.C[C]1[CH][C]([CH][C]1C(=O)OCCP(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.F[P-](F)(F)(F)(F)F.[Ru+]

InChI

InChI=1S/C25H28O2P.C18H15O3P.C2H3N.F6P.Ru/c1-19-17-20(25(2,3)4)18-23(19)24(26)27-15-16-28(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-3;1-7(2,3,4,5)6;/h5-14,17-18H,15-16H2,1-4H3;1-15H;1H3;;/q;;;-1;+1