2-tert-butyl-4-chloranyl-phenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Openeye Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride CAS Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride IUPAC Name: 2-tert-butyl-4-chlorophenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Traditional Name: 2-tert-butyl-4-chloro-phenol; carbanide; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Formula: C18H28Cl3OTi-2 MolecularWeight: 414.64032

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C.[CH3-].[CH3-].CC(C)(C)C1=C(C=CC(=C1)Cl)O.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C10H13ClO.C5H5.CH4.2CH3.2ClH.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-4-5-3-1;;;;;;/h4-6,12H,1-3H3;1-5H;1H4;2*1H3;2*1H;/q;-1;;2*-1;;;+3/p-2