1,4-diethynylbenzene; 2-diphenylphosphanylethyl(diphenyl)phosphane; ruthenium(2+)

Systemtic Name: 1,4-diethynylbenzene; 2-diphenylphosphanylethyl(diphenyl)phosphane; ruthenium(2+) Openeye Name: 1,4-diethynylbenzene; 2-diphenylphosphanylethyl(diphenyl)phosphane; ruthenium(2+) CAS Name: 1,4-diethynylbenzene; 2-diphenylphosphinoethyl(diphenyl)phosphine; ruthenium(2+) IUPAC Name: 1,4-diethynylbenzene; 2-diphenylphosphanylethyl(diphenyl)phosphane; ruthenium(2+) Traditional Name: 1,4-diethynylbenzene; 2-diphenylphosphinoethyl(diphenyl)phosphine; ruthenium(2+) Formula: C72H58P4Ru MolecularWeight: 1148.195964

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C#[C-].C#CC1=CC=C(C=C1)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.[Ru+2]

Isomeric SMILES

C#CC1=CC=C(C=C1)C#[C-].C#CC1=CC=C(C=C1)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.[Ru+2]

InChI

InChI=1S/2C26H24P2.2C10H5.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;2*1-3-9-5-7-10(4-2)8-6-9;/h2*1-20H,21-22H2;2*1,5-8H;/q;;2*-1;+2