2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); 3-phenylphenol; dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); 3-phenylphenol; dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); 3-phenylphenol; dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); 3-phenylphenol; dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); 3-phenylphenol; dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); 3-phenylphenol; dichloride Formula: C22H25Cl2OTi-2 MolecularWeight: 424.2063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.C=[Ti+].C1=CC=C(C=C1)C2=CC(=CC=C2)O.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.C=[Ti+].C1=CC=C(C=C1)C2=CC(=CC=C2)O.[Cl-].[Cl-]

InChI

InChI=1S/C12H10O.C9H13.CH2.2ClH.Ti/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-9(2,3)8-6-4-5-7-8;;;;/h1-9,13H;4,6H,5H2,1-3H3;1H2;2*1H;/q;-1;;;;+1/p-2