chloranylruthenium(1+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate

Systemtic Name: chloranylruthenium(1+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; 1-methyl-4-propan-2-yl-benzene; hexafluorophosphate Openeye Name: chlororuthenium(1+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; 1-isopropyl-4-methyl-benzene; hexafluorophosphate CAS Name: chlororuthenium(1+); [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methylpropyl]-diphenylphosphine; 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate IUPAC Name: chlororuthenium(1+); [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane; 1-methyl-4-propan-2-ylbenzene; hexafluorophosphate Traditional Name: chlororuthenium(1+); [3-diphenylphosphino-2-(diphenylphosphinomethyl)-2-methyl-propyl]-diphenyl-phosphine; p-cymene; hexafluorophosphate Formula: C51H53ClF6P4Ru MolecularWeight: 1040.374983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)C.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.F[P-](F)(F)(F)(F)F.Cl[Ru+]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)C.CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6.F[P-](F)(F)(F)(F)F.Cl[Ru+]

InChI

InChI=1S/C41H39P3.C10H14.ClH.F6P.Ru/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40;1-8(2)10-6-4-9(3)5-7-10;;1-7(2,3,4,5)6;/h2-31H,32-34H2,1H3;4-8H,1-3H3;1H;;/q;;;-1;+2/p-1