chloranylruthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; [6-(4-methylphenyl)pyridin-2-yl]methanamine

Systemtic Name: chloranylruthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; [6-(4-methylphenyl)pyridin-2-yl]methanamine Openeye Name: chlororuthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; [6-(p-tolyl)-2-pyridyl]methanamine CAS Name: chlororuthenium; 4-diphenylphosphinobutyl(diphenyl)phosphine; [6-(4-methylphenyl)-2-pyridinyl]methanamine IUPAC Name: chlororuthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; [6-(4-methylphenyl)pyridin-2-yl]methanamine Traditional Name: chlororuthenium; 4-diphenylphosphinobutyl(diphenyl)phosphine; [6-(p-tolyl)-2-pyridyl]methylamine Formula: C41H42ClN2P2Ru MolecularWeight: 761.256102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC=C2)CN.C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC=C2)CN.C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru]

InChI

InChI=1S/C28H28P2.C13H14N2.ClH.Ru/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-10-5-7-11(8-6-10)13-4-2-3-12(9-14)15-13;;/h1-12,15-22H,13-14,23-24H2;2-8H,9,14H2,1H3;1H;/q;;;+1/p-1