2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate

Systemtic Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate Openeye Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate CAS Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate IUPAC Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate Traditional Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; dimethylsilylidenetitanium; dichloride; hydrate Formula: C36H56Cl2O3Si2Ti2-4 MolecularWeight: 759.63904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C[Si](=[Ti])C.C[Si](=[Ti])C.C1C=CC=[C-]1.C1C=CC=[C-]1.O.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C[Si](=[Ti])C.C[Si](=[Ti])C.C1C=CC=[C-]1.C1C=CC=[C-]1.O.[Cl-].[Cl-]

InChI

InChI=1S/2C11H16O.2C5H5.2C2H6Si.2ClH.H2O.2Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-2-4-5-3-1;2*1-3-2;;;;;/h2*5-7,12H,1-4H3;2*1-3H,4H2;2*1-2H3;2*1H;1H2;;/q;;2*-1;;;;;;;/p-2