chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-phenylprop-2-ynylbenzene

Systemtic Name: chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-phenylprop-2-ynylbenzene Openeye Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-phenylprop-2-ynylbenzene CAS Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1-phenylprop-2-ynylbenzene IUPAC Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1-phenylprop-2-ynylbenzene Traditional Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1-phenylprop-2-ynylbenzene Formula: C67H59ClP4Ru MolecularWeight: 1124.603404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#CC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru+]

Isomeric SMILES

[C-]#CC(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru+]

InChI

InChI=1S/2C26H24P2.C15H11.ClH.Ru/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;/h2*1-20H,21-22H2;3-12,15H;1H;/q;;-1;;+2/p-1