2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxy-phenol; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxy-phenol; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxy-phenol; isopropylidenetitanium(1+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxyphenol; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxyphenol; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methoxy-phenol; isopropylidenetitanium(1+); dichloride Formula: C23H35Cl2O2Ti-2 MolecularWeight: 462.2958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O2.C9H13.C3H6.2ClH.Ti/c1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h5-7,12H,1-4H3;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2