chloranylruthenium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate

Systemtic Name: chloranylruthenium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate Openeye Name: chlororuthenium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; 1-isopropyl-4-methyl-benzene; hexafluorophosphate CAS Name: chlororuthenium(1+); diphenylphosphinomethyl(diphenyl)phosphine; 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate IUPAC Name: chlororuthenium(1+); diphenylphosphanylmethyl(diphenyl)phosphane; 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate Traditional Name: chlororuthenium(1+); diphenylphosphinomethyl(diphenyl)phosphine; p-cymene; hexafluorophosphate Formula: C35H36ClF6P3Ru MolecularWeight: 800.095042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F.Cl[Ru+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.F[P-](F)(F)(F)(F)F.Cl[Ru+]

InChI

InChI=1S/C25H22P2.C10H14.ClH.F6P.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-8(2)10-6-4-9(3)5-7-10;;1-7(2,3,4,5)6;/h1-20H,21H2;4-8H,1-3H3;1H;;/q;;;-1;+2/p-1