chloranylruthenium(1+); 3,3-dimethylbut-1-yne; diphenylphosphanylmethyl(diphenyl)phosphane

Systemtic Name: chloranylruthenium(1+); 3,3-dimethylbut-1-yne; diphenylphosphanylmethyl(diphenyl)phosphane Openeye Name: chlororuthenium(1+); 3,3-dimethylbut-1-yne; diphenylphosphanylmethyl(diphenyl)phosphane CAS Name: chlororuthenium(1+); 3,3-dimethyl-1-butyne; diphenylphosphinomethyl(diphenyl)phosphine IUPAC Name: chlororuthenium(1+); 3,3-dimethylbut-1-yne; diphenylphosphanylmethyl(diphenyl)phosphane Traditional Name: chlororuthenium(1+); 3,3-dimethylbut-1-yne; diphenylphosphinomethyl(diphenyl)phosphine Formula: C56H53ClP4Ru MolecularWeight: 986.438064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C25H22P2.C6H9.ClH.Ru/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-5-6(2,3)4;;/h2*1-20H,21H2;2-4H3;1H;/q;;-1;;+2/p-1