(3-cyano-2-phenyl-prop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphane; iodide

Systemtic Name: (3-cyano-2-phenyl-prop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphane; iodide Openeye Name: (3-cyano-2-phenyl-prop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphane; iodide CAS Name: (3-cyano-2-phenylprop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphine; iodide IUPAC Name: (3-cyano-2-phenylprop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphane; iodide Traditional Name: (3-cyano-2-phenyl-prop-1-enylidene)ruthenium(1+); cyclopentane; triphenylphosphine; iodide Formula: C51H42INP2Ru MolecularWeight: 958.807872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C=[Ru+])CC#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.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C(=C=[Ru+])CC#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.[I-]

InChI

InChI=1S/2C18H15P.C10H7N.C5H5.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;1-9(7-8-11)10-5-3-2-4-6-10;1-2-4-5-3-1;;/h2*1-15H;2-6H,7H2;1-5H;1H;/q;;;;;+1/p-1