carbon monoxide; 4,5-dimethyl-1,3-di(propan-2-yl)imidazole; ruthenium(1+); triphenylphosphane

Systemtic Name: carbon monoxide; 4,5-dimethyl-1,3-di(propan-2-yl)imidazole; ruthenium(1+); triphenylphosphane Openeye Name: carbon monoxide; 1-isopropyl-3-(1-methanidylethyl)-4,5-dimethyl-imidazole; ruthenium(1+); triphenylphosphane CAS Name: carbon monoxide; 4,5-dimethyl-1,3-di(propan-2-yl)imidazole; ruthenium(1+); triphenylphosphine IUPAC Name: carbon monoxide; 4,5-dimethyl-1,3-di(propan-2-yl)imidazole; ruthenium(1+); triphenylphosphane Traditional Name: carbon monoxide; 1-isopropyl-3-(1-methanidylethyl)-4,5-dimethyl-imidazole; ruthenium(1+); triphenylphosphine Formula: C48H49N2OP2Ru MolecularWeight: 832.932982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N([C]N1C(C)C)C(C)[CH2-])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.[Ru+]

Isomeric SMILES

CC1=C(N([C]N1C(C)C)C(C)[CH2-])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.[Ru+]

InChI

InChI=1S/2C18H15P.C11H19N2.CO.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)12-7-13(9(3)4)11(6)10(12)5;1-2;/h2*1-15H;8-9H,1H2,2-6H3;;/q;;-1;;+1