3-tert-butyl-5-methoxy-phenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride

Systemtic Name: 3-tert-butyl-5-methoxy-phenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Openeye Name: 3-tert-butyl-5-methoxy-phenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butyl-5-methoxyphenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride IUPAC Name: 3-tert-butyl-5-methoxyphenol; methylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Traditional Name: 3-tert-butyl-5-methoxy-phenol; methylenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene; dichloride Formula: C21H31Cl2O2Ti-2 MolecularWeight: 434.24264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O2.C9H13.CH2.2ClH.Ti/c1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-6-5-7(2)9(4)8(6)3;;;;/h5-7,12H,1-4H3;6H,1-4H3;1H2;2*1H;/q;-1;;;;+1/p-2