benzene; iridium; 2-isocyano-1,3-dimethyl-benzene; 1,2,3,4-tetramethyl-5-methylidene-cyclopentane; trimethylphosphane

Systemtic Name: benzene; iridium; 2-isocyano-1,3-dimethyl-benzene; 1,2,3,4-tetramethyl-5-methylidene-cyclopentane; trimethylphosphane Openeye Name: benzene; iridium; 2-isocyano-1,3-dimethyl-benzene; 1,2,3,4-tetramethyl-5-methylene-cyclopentane; trimethylphosphane CAS Name: benzene; iridium; 2-isocyano-1,3-dimethylbenzene; 1,2,3,4-tetramethyl-5-methylenecyclopentane; trimethylphosphine IUPAC Name: benzene; iridium; 2-isocyano-1,3-dimethylbenzene; 1,2,3,4-tetramethyl-5-methylidenecyclopentane; trimethylphosphane Traditional Name: benzene; iridium; 2-isocyano-1,3-dimethyl-benzene; 1,2,3,4-tetramethyl-5-methylene-cyclopentane; trimethylphosphine Formula: C28H37IrNP- MolecularWeight: 610.790841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]#[C-].C[C]1[C]([C](C(=C)[C]1C)C)C.CP(C)C.C1=CC=[C-]C=C1.[Ir]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]#[C-].C[C]1[C]([C](C(=C)[C]1C)C)C.CP(C)C.C1=CC=[C-]C=C1.[Ir]

InChI

InChI=1S/C10H14.C9H9N.C6H5.C3H9P.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-7-5-4-6-8(2)9(7)10-3;1-2-4-6-5-3-1;1-4(2)3;/h1H2,2-5H3;4-6H,1-2H3;1-5H;1-3H3;/q;;-1;;