2-tert-butyl-4-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 2-tert-butyl-4-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+); dichloride CAS Name: 2-tert-butyl-4-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-tert-butyl-4-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 2-tert-butyl-4-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+); dichloride Formula: C22H32Cl3OTi-2 MolecularWeight: 466.71488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClO.C9H13.C3H6.2ClH.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h4-6,12H,1-3H3;4,6H,5H2,1-3H3;1-2H3;2*1H;/q;-1;;;;+1/p-2