iridium; 2-methanidylpropanenitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene

Systemtic Name: iridium; 2-methanidylpropanenitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Openeye Name: iridium; 2-methanidylpropanenitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene CAS Name: iridium; 2-methanidylpropanenitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene IUPAC Name: iridium; 2-methanidylpropanenitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Traditional Name: iridium; 2-methanidylpropionitrile; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Formula: C28H30IrN-2 MolecularWeight: 572.7615

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2-]C([CH2-])C#N.C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ir]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.[CH2-]C([CH2-])C#N.C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Ir]

InChI

InChI=1S/C14H10.C10H15.C4H5N.Ir/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-6-7(2)9(4)10(5)8(6)3;1-4(2)3-5;/h1-10H;1-5H3;4H,1-2H2;/q;;-2;