bis(chloranyl)ruthenium; carbon monoxide; tricyclohexylphosphane; 1-(2,4,6-trimethylphenyl)-3-(2,4,6-trimethyl-7-phenyl-cyclohepta-1,3,5-trien-1-yl)imidazolidine

Systemtic Name: bis(chloranyl)ruthenium; carbon monoxide; tricyclohexylphosphane; 1-(2,4,6-trimethylphenyl)-3-(2,4,6-trimethyl-7-phenyl-cyclohepta-1,3,5-trien-1-yl)imidazolidine Openeye Name: carbon monoxide; dichlororuthenium; tricyclohexylphosphane; 1-(2,4,6-trimethylphenyl)-3-(2,4,6-trimethyl-7-phenyl-cyclohepta-1,3,5-trien-1-yl)imidazolidine CAS Name: carbon monoxide; dichlororuthenium; tricyclohexylphosphine; 1-(2,4,6-trimethylphenyl)-3-(2,4,6-trimethyl-7-phenyl-1-cyclohepta-1,3,5-trienyl)imidazolidine IUPAC Name: carbon monoxide; dichlororuthenium; tricyclohexylphosphane; 1-(2,4,6-trimethylphenyl)-3-(2,4,6-trimethyl-7-phenylcyclohepta-1,3,5-trien-1-yl)imidazolidine Traditional Name: carbon monoxide; dichlororuthenium; 1-mesityl-3-(2,4,6-trimethyl-7-phenyl-cyclohepta-1,3,5-trien-1-yl)imidazolidine; tricyclohexylphosphine Formula: C48H67Cl2N2O2PRu MolecularWeight: 907.007541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(C(=C1)C)C2=CC=CC=C2)N3CCN(C3)C4=C(C=C(C=C4C)C)C)C.[C-]#[O+].[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ru]Cl

Isomeric SMILES

CC1=CC(=C(C(C(=C1)C)C2=CC=CC=C2)N3CCN(C3)C4=C(C=C(C=C4C)C)C)C.[C-]#[O+].[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.Cl[Ru]Cl

InChI

InChI=1S/C28H34N2.C18H33P.2CO.2ClH.Ru/c1-19-14-21(3)26(25-10-8-7-9-11-25)28(24(6)17-19)30-13-12-29(18-30)27-22(4)15-20(2)16-23(27)5;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;;;/h7-11,14-17,26H,12-13,18H2,1-6H3;16-18H,1-15H2;;;2*1H;/q;;;;;;+2/p-2