3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride

Systemtic Name: 3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride Openeye Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride CAS Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride IUPAC Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride Traditional Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; titanium; dichloride Formula: C19H26Cl3OTi-3 MolecularWeight: 424.63514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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