cyclopenta-1,3-diene; titanium(2+); tribenzoate

Systemtic Name: cyclopenta-1,3-diene; titanium(2+); tribenzoate Openeye Name: cyclopenta-1,3-diene; titanium(2+); tribenzoate CAS Name: cyclopenta-1,3-diene; titanium(2+); tribenzoate IUPAC Name: cyclopenta-1,3-diene; titanium(2+); tribenzoate Traditional Name: cyclopenta-1,3-diene; titanium(2+); tribenzoate Formula: C36H30O6Ti3 MolecularWeight: 702.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ti+2].[Ti+2].[Ti+2]

InChI

InChI=1S/3C7H6O2.3C5H5.3Ti/c3*8-7(9)6-4-2-1-3-5-6;3*1-2-4-5-3-1;;;/h3*1-5H,(H,8,9);3*1-3H,4H2;;;/q;;;3*-1;3*+2/p-3