buta-1,3-diyne; chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane

Systemtic Name: buta-1,3-diyne; chloranylruthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane Openeye Name: buta-1,3-diyne; chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane CAS Name: buta-1,3-diyne; chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine IUPAC Name: buta-1,3-diyne; chlororuthenium(1+); 2-diphenylphosphanylethyl(diphenyl)phosphane Traditional Name: buta-1,3-diyne; chlororuthenium(1+); 2-diphenylphosphinoethyl(diphenyl)phosphine Formula: C56H49ClP4Ru MolecularWeight: 982.406304

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Descriptors Computed from Structure

Canonical SMILES:

C#CC#[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.Cl[Ru+]

Isomeric SMILES

C#CC#[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.Cl[Ru+]

InChI

InChI=1S/2C26H24P2.C4H.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;1-3-4-2;;/h2*1-20H,21-22H2;1H;1H;/q;;-1;;+2/p-1