cyclopentane; 2-phenylcycloprop-2-ene-1-carbonitrile; ruthenium(1+); triphenylphosphane

Systemtic Name: cyclopentane; 2-phenylcycloprop-2-ene-1-carbonitrile; ruthenium(1+); triphenylphosphane Openeye Name: cyclopentane; 2-phenylcycloprop-2-ene-1-carbonitrile; ruthenium(1+); triphenylphosphane CAS Name: cyclopentane; 2-phenyl-1-cycloprop-2-enecarbonitrile; ruthenium(1+); triphenylphosphine IUPAC Name: cyclopentane; 2-phenylcycloprop-2-ene-1-carbonitrile; ruthenium(1+); triphenylphosphane Traditional Name: cyclopentane; 2-phenylcycloprop-2-ene-1-carbonitrile; ruthenium(1+); triphenylphosphine Formula: C51H41NP2Ru MolecularWeight: 830.895462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[C-]C2C#N.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+]

Isomeric SMILES

C1=CC=C(C=C1)C2=[C-]C2C#N.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+]

InChI

InChI=1S/2C18H15P.C10H6N.C5H5.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-7-9-6-10(9)8-4-2-1-3-5-8;1-2-4-5-3-1;/h2*1-15H;1-5,9H;1-5H;/q;;-1;;+1