4-oxidanidylbenzoate; 1-phenylbutane-1,3-dione; titanium(4+)

Systemtic Name: 4-oxidanidylbenzoate; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: 4-oxidobenzoate; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: 4-oxidobenzoate; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: 4-oxidobenzoate; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: 4-oxidobenzoate; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C34H26O10Ti-2 MolecularWeight: 642.43124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H9O2.2C7H6O3.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*8-6-3-1-5(2-4-6)7(9)10;/h2*2-7H,1H3;2*1-4,8H,(H,9,10);/q2*-1;;;+4/p-4