cyclopentane; 3-isocyanoprop-1-ene; ruthenium(2+); triphenylphosphane; iodide

Systemtic Name: cyclopentane; 3-isocyanoprop-1-ene; ruthenium(2+); triphenylphosphane; iodide Openeye Name: cyclopentane; 3-isocyanoprop-1-ene; ruthenium(2+); triphenylphosphane; iodide CAS Name: cyclopentane; 3-isocyano-1-propene; ruthenium(2+); triphenylphosphine; iodide IUPAC Name: cyclopentane; 3-isocyanoprop-1-ene; ruthenium(2+); triphenylphosphane; iodide Traditional Name: cyclopentane; 3-isocyanoprop-1-ene; ruthenium(2+); triphenylphosphine; iodide Formula: C45H40INP2Ru+ MolecularWeight: 884.727792

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]#[C-].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.[CH]1[CH][CH][CH][CH]1.[Ru+2].[I-]

Isomeric SMILES

C=CC[N+]#[C-].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.[CH]1[CH][CH][CH][CH]1.[Ru+2].[I-]

InChI

InChI=1S/2C18H15P.C5H5.C4H5N.HI.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-4-5-2;;/h2*1-15H;1-5H;3H,1,4H2;1H;/q;;;;;+2/p-1