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

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methyl-phenol; methylidenetitanium(1+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methyl-phenol; methylenetitanium(1+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methylphenol; methylenetitanium(1+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methylphenol; methylidenetitanium(1+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 3-tert-butyl-5-methyl-phenol; methylenetitanium(1+); dichloride Formula: C21H31Cl2OTi-2 MolecularWeight: 418.24324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.CH2.2ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-9(2,3)8-6-4-5-7-8;;;;/h5-7,12H,1-4H3;4,6H,5H2,1-3H3;1H2;2*1H;/q;-1;;;;+1/p-2