chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1,3,5-triethynylbenzene

Systemtic Name: chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1,3,5-triethynylbenzene Openeye Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1,3,5-triethynylbenzene CAS Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1,3,5-triethynylbenzene IUPAC Name: chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane; 1,3,5-triethynylbenzene Traditional Name: chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine; 1,3,5-triethynylbenzene Formula: C116H100Cl2P8Ru2 MolecularWeight: 2014.871288

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)C#[C-])C#[C-].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.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+].Cl[Ru+]

Isomeric SMILES

C#CC1=CC(=CC(=C1)C#[C-])C#[C-].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.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+].Cl[Ru+]

InChI

InChI=1S/4C26H24P2.C12H4.2ClH.2Ru/c4*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;1-4-10-7-11(5-2)9-12(6-3)8-10;;;;/h4*1-20H,21-22H2;1,7-9H;2*1H;;/q;;;;-2;;;2*+2/p-2