iridium; 3-methanidyl-2-methyl-1-phenyl-butan-1-one; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene

Systemtic Name: iridium; 3-methanidyl-2-methyl-1-phenyl-butan-1-one; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Openeye Name: iridium; 3-methanidyl-2-methyl-1-phenyl-butan-1-one; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene CAS Name: iridium; 3-methanidyl-2-methyl-1-phenyl-1-butanone; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene IUPAC Name: iridium; 3-methanidyl-2-methyl-1-phenylbutan-1-one; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Traditional Name: iridium; 3-methanidyl-2-methyl-1-phenyl-butan-1-one; 1,2,3,4,5-pentamethylcyclopentane; 2-phenylethynylbenzene Formula: C36H39IrO-2 MolecularWeight: 679.91126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10.C12H14O.C10H15.Ir/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-9(2)10(3)12(13)11-7-5-4-6-8-11;1-6-7(2)9(4)10(5)8(6)3;/h1-10H;4-10H,1-2H2,3H3;1-5H3;/q;-2;;