cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride CAS Name: cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,5-ditert-butylphenolate; titanium(4+); dichloride Formula: C19H26Cl2OTi MolecularWeight: 389.18214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)[O-].C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)[O-].C1C=CC=[C-]1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C14H22O.C5H5.2ClH.Ti/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6;1-2-4-5-3-1;;;/h7-9,15H,1-6H3;1-3H,4H2;2*1H;/q;-1;;;+4/p-3