cyclopenta-1,3-diene; titanium(4+); dibenzoate

Systemtic Name: cyclopenta-1,3-diene; titanium(4+); dibenzoate Openeye Name: cyclopenta-1,3-diene; titanium(4+); dibenzoate CAS Name: cyclopenta-1,3-diene; titanium(4+); dibenzoate IUPAC Name: cyclopenta-1,3-diene; titanium(4+); dibenzoate Traditional Name: cyclopenta-1,3-diene; titanium(4+); dibenzoate Formula: C24H20O4Ti MolecularWeight: 420.2802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.2C5H5.Ti/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-5-3-1;/h2*1-5H,(H,8,9);2*1-3H,4H2;/q;;2*-1;+4/p-2