buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

Systemtic Name: buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Openeye Name: buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene CAS Name: buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene IUPAC Name: buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Traditional Name: buta-1,3-diene; iridium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Formula: C14H21Ir+2 MolecularWeight: 381.53354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C=CC=C.[Ir+3]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C=CC=C.[Ir+3]

InChI

InChI=1S/C10H15.C4H6.Ir/c1-7-6-10(4,5)9(3)8(7)2;1-3-4-2;/h1-5H3;3-4H,1-2H2;/q-1;;+3