chloranylruthenium(1+); 1-methyl-4-propan-2-yl-cyclohexane; triphenylphosphane; hexafluorophosphate

Systemtic Name: chloranylruthenium(1+); 1-methyl-4-propan-2-yl-cyclohexane; triphenylphosphane; hexafluorophosphate Openeye Name: chlororuthenium(1+); 1-isopropyl-4-methyl-cyclohexane; triphenylphosphane; hexafluorophosphate CAS Name: chlororuthenium(1+); 1-methyl-4-propan-2-ylcyclohexane; triphenylphosphine; hexafluorophosphate IUPAC Name: chlororuthenium(1+); 1-methyl-4-propan-2-ylcyclohexane; triphenylphosphane; hexafluorophosphate Traditional Name: chlororuthenium(1+); 1-isopropyl-4-methyl-cyclohexane; triphenylphosphine; hexafluorophosphate Formula: C46H44ClF6P3Ru MolecularWeight: 940.276262

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.Cl[Ru+]

Isomeric SMILES

C[C]1[CH][CH][C]([CH][CH]1)C(C)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.F[P-](F)(F)(F)(F)F.Cl[Ru+]

InChI

InChI=1S/2C18H15P.C10H14.ClH.F6P.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-6-4-9(3)5-7-10;;1-7(2,3,4,5)6;/h2*1-15H;4-8H,1-3H3;1H;;/q;;;;-1;+2/p-1