3-tert-butylphenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride

Systemtic Name: 3-tert-butylphenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Openeye Name: 3-tert-butylphenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butylphenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride IUPAC Name: 3-tert-butylphenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Traditional Name: 3-tert-butylphenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Formula: C20H29Cl2OTi-2 MolecularWeight: 404.21666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.C9H13.CH2.2ClH.Ti/c1-10(2,3)8-5-4-6-9(11)7-8;1-6-5-7(2)9(4)8(6)3;;;;/h4-7,11H,1-3H3;6H,1-4H3;1H2;2*1H;/q;-1;;;;+1/p-2