3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylidenetitanium(1+); dichloride Openeye Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylenetitanium(1+); dichloride CAS Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylenetitanium(1+); dichloride IUPAC Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylidenetitanium(1+); dichloride Traditional Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; methylenetitanium(1+); dichloride Formula: C24H25Cl2OTi-2 MolecularWeight: 448.2277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)O.C=[Ti+].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)O.C=[Ti+].C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C10H14O.CH2.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-10(2,3)8-5-4-6-9(11)7-8;;;;/h1-5,7-8H,9H2;4-7,11H,1-3H3;1H2;2*1H;/q-1;;;;;+1/p-2