3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride Formula: C20H28Cl3OTi-2 MolecularWeight: 438.66172

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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.C=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClO.C9H13.CH2.2ClH.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;1H2;2*1H;/q;-1;;;;+1/p-2