carbon monoxide; chloranylruthenium; 4,5-dimethyl-3-propan-2-yl-1H-imidazole; triphenylphosphane

Systemtic Name: carbon monoxide; chloranylruthenium; 4,5-dimethyl-3-propan-2-yl-1H-imidazole; triphenylphosphane Openeye Name: carbon monoxide; chlororuthenium; 3-isopropyl-4,5-dimethyl-1H-imidazole; triphenylphosphane CAS Name: carbon monoxide; chlororuthenium; 4,5-dimethyl-3-propan-2-yl-1H-imidazole; triphenylphosphine IUPAC Name: carbon monoxide; chlororuthenium; 4,5-dimethyl-3-propan-2-yl-1H-imidazole; triphenylphosphane Traditional Name: carbon monoxide; chlororuthenium; 3-isopropyl-4,5-dimethyl-1H-imidazole; triphenylphosphine Formula: C45H44ClN2OP2Ru MolecularWeight: 827.314182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N([C]N1)C(C)C)C.[C-]#[O+].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.Cl[Ru]

Isomeric SMILES

CC1=C(N([C]N1)C(C)C)C.[C-]#[O+].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.Cl[Ru]

InChI

InChI=1S/2C18H15P.C8H14N2.CO.ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(2)10-5-9-7(3)8(10)4;1-2;;/h2*1-15H;6,9H,1-4H3;;1H;/q;;;;;+1/p-1