oxolane-2-carboxylate; titanium(3+); trichloride

Systemtic Name: oxolane-2-carboxylate; titanium(3+); trichloride Openeye Name: tetrahydrofuran-2-carboxylate; titanium(3+); trichloride CAS Name: 2-oxolanecarboxylate; titanium(3+); trichloride IUPAC Name: oxolane-2-carboxylate; titanium(3+); trichloride Traditional Name: tetrahydrofuran-2-carboxylate; titanium(3+); trichloride Formula: C45H63Cl3O27Ti4 MolecularWeight: 1333.79252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].[Cl-].[Cl-].[Cl-].[Ti+3].[Ti+3].[Ti+3].[Ti+3]

Isomeric SMILES

C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].C1CC(OC1)C(=O)[O-].[Cl-].[Cl-].[Cl-].[Ti+3].[Ti+3].[Ti+3].[Ti+3]

InChI

InChI=1S/9C5H8O3.3ClH.4Ti/c9*6-5(7)4-2-1-3-8-4;;;;;;;/h9*4H,1-3H2,(H,6,7);3*1H;;;;/q;;;;;;;;;;;;4*+3/p-12