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

Systemtic Name: 3-tert-butyl-5-chloranyl-phenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-chloro-phenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-chlorophenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-chlorophenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-chloro-phenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride Formula: C16H20Cl3OTi-2 MolecularWeight: 382.5554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)Cl)O.C=[Ti+].C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)Cl)O.C=[Ti+].C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C10H13ClO.C5H5.CH2.2ClH.Ti/c1-10(2,3)7-4-8(11)6-9(12)5-7;1-2-4-5-3-1;;;;/h4-6,12H,1-3H3;1-3H,4H2;1H2;2*1H;/q;-1;;;;+1/p-2