3-tert-butylphenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butylphenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butylphenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride CAS Name: 3-tert-butylphenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butylphenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butylphenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride Formula: C16H21Cl2OTi-2 MolecularWeight: 348.11034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.C5H5.CH2.2ClH.Ti/c1-10(2,3)8-5-4-6-9(11)7-8;1-2-4-5-3-1;;;;/h4-7,11H,1-3H3;1-3H,4H2;1H2;2*1H;/q;-1;;;;+1/p-2