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

Systemtic Name: 3-tert-butyl-5-ethyl-phenol; 2-methylcyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-ethyl-phenol; 2-methylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-ethylphenol; 2-methylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-ethylphenol; 2-methylcyclopenta-1,3-diene; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-ethyl-phenol; 2-methylcyclopenta-1,3-diene; methylenetitanium(1+); dichloride Formula: C19H27Cl2OTi-2 MolecularWeight: 390.19008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)O)C(C)(C)C.CC1=[C-]CC=C1.C=[Ti+].[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC(=CC(=C1)O)C(C)(C)C.CC1=[C-]CC=C1.C=[Ti+].[Cl-].[Cl-]

InChI

InChI=1S/C12H18O.C6H7.CH2.2ClH.Ti/c1-5-9-6-10(12(2,3)4)8-11(13)7-9;1-6-4-2-3-5-6;;;;/h6-8,13H,5H2,1-4H3;2,4H,3H2,1H3;1H2;2*1H;/q;-1;;;;+1/p-2