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

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; methylenetitanium(1+); dichloride Formula: C17H23Cl2OTi-2 MolecularWeight: 362.13692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)(C)C.C=[Ti+].C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)C.C=[Ti+].C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/C11H16O.C5H5.CH2.2ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-2-4-5-3-1;;;;/h5-7,12H,1-4H3;1-3H,4H2;1H2;2*1H;/q;-1;;;;+1/p-2