carbon monoxide; diphenylphosphane; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphane

Systemtic Name: carbon monoxide; diphenylphosphane; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphane Openeye Name: carbon monoxide; diphenylphosphane; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphane CAS Name: carbon monoxide; diphenylphosphine; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphine IUPAC Name: carbon monoxide; diphenylphosphane; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphane Traditional Name: carbon monoxide; diphenylphosphine; 3H-pyridin-3-ide; ruthenium; ruthenium(1+); triphenylphosphine Formula: C57H45NO4P3Ru2 MolecularWeight: 1103.032783

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C[C-]=C1.[Ru].[Ru+]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C[C-]=C1.[Ru].[Ru+]

InChI

InChI=1S/2C18H15P.C12H11P.C5H4N.4CO.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-6-5-3-1;4*1-2;;/h2*1-15H;1-10,13H;1-2,4-5H;;;;;;/q;;;-1;;;;;;+1