cyclopentane; 5-phenyl-4,5-dihydro-2H-1,3-oxazol-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphane

Systemtic Name: cyclopentane; 5-phenyl-4,5-dihydro-2H-1,3-oxazol-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphane Openeye Name: cyclopentane; 5-phenyl-4,5-dihydro-2H-oxazol-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphane CAS Name: cyclopentane; 5-phenyl-4,5-dihydro-2H-oxazol-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphine IUPAC Name: cyclopentane; 5-phenyl-4,5-dihydro-2H-1,3-oxazol-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphane Traditional Name: cyclopentane; 5-phenyl-2-oxazolin-2-ide-4-carbonitrile; ruthenium(2+); triphenylphosphine Formula: C51H47N2OP2Ru+ MolecularWeight: 866.949202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC1.C1=CC=C(C=C1)C2C(N=[C-]O2)C#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.[Ru+2]

Isomeric SMILES

C1CCCC1.C1=CC=C(C=C1)C2C(N=[C-]O2)C#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.[Ru+2]

InChI

InChI=1S/2C18H15P.C10H7N2O.C5H10.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-6-9-10(13-7-12-9)8-4-2-1-3-5-8;1-2-4-5-3-1;/h2*1-15H;1-5,9-10H;1-5H2;/q;;-1;;+2