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

Systemtic Name: chloranyltitanium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Openeye Name: chlorotitanium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene CAS Name: chlorotitanium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene IUPAC Name: chlorotitanium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Traditional Name: chlorotitanium(3+); 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Formula: C30H45ClTi MolecularWeight: 488.9983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.Cl[Ti+3]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.Cl[Ti+3]

InChI

InChI=1S/3C10H15.ClH.Ti/c3*1-7-6-10(4,5)9(3)8(7)2;;/h3*1-5H3;1H;/q3*-1;;+4/p-1