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

Systemtic Name: chloranylruthenium(2+); 2-diphenylphosphanylethyl 4-tert-butyl-2-methyl-cyclopentane-1-carboxylate; ethanenitrile; hexafluorophosphate Openeye Name: acetonitrile; chlororuthenium(2+); 2-diphenylphosphanylethyl 4-tert-butyl-2-methyl-cyclopentanecarboxylate; hexafluorophosphate CAS Name: acetonitrile; 4-tert-butyl-2-methyl-1-cyclopentanecarboxylic acid 2-diphenylphosphinoethyl ester; chlororuthenium(2+); hexafluorophosphate IUPAC Name: acetonitrile; chlororuthenium(2+); 2-diphenylphosphanylethyl 4-tert-butyl-2-methylcyclopentane-1-carboxylate; hexafluorophosphate Traditional Name: acetonitrile; 4-tert-butyl-2-methyl-cyclopentanecarboxylic acid 2-diphenylphosphinoethyl ester; chlororuthenium(2+); hexafluorophosphate Formula: C29H34ClF6N2O2P2Ru+ MolecularWeight: 755.053401

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.C[C]1[CH][C]([CH][C]1C(=O)OCCP(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.F[P-](F)(F)(F)(F)F.Cl[Ru+2]

Isomeric SMILES

CC#N.CC#N.C[C]1[CH][C]([CH][C]1C(=O)OCCP(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)C.F[P-](F)(F)(F)(F)F.Cl[Ru+2]

InChI

InChI=1S/C25H28O2P.2C2H3N.ClH.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;2*1-2-3;;1-7(2,3,4,5)6;/h5-14,17-18H,15-16H2,1-4H3;2*1H3;1H;;/q;;;;-1;+3/p-1