tert-butyl ethanoate; cyclopenta-1,3-diene; titanium(2+); trichloride

Systemtic Name: tert-butyl ethanoate; cyclopenta-1,3-diene; titanium(2+); trichloride Openeye Name: tert-butyl acetate; cyclopenta-1,3-diene; titanium(2+); trichloride CAS Name: acetic acid tert-butyl ester; cyclopenta-1,3-diene; titanium(2+); trichloride IUPAC Name: tert-butyl acetate; cyclopenta-1,3-diene; titanium(2+); trichloride Traditional Name: acetic acid tert-butyl ester; cyclopenta-1,3-diene; titanium(2+); trichloride Formula: C11H16Cl3O2Ti-3 MolecularWeight: 334.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[CH2-].C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Ti+2]

Isomeric SMILES

CC(C)(C)OC(=O)[CH2-].C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Ti+2]

InChI

InChI=1S/C6H11O2.C5H5.3ClH.Ti/c1-5(7)8-6(2,3)4;1-2-4-5-3-1;;;;/h1H2,2-4H3;1-3H,4H2;3*1H;/q2*-1;;;;+2/p-3