2-oxidanyl-2-oxidanylidene-ethanolate; 1-phenylbutane-1,3-dione; titanium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanolate; 1-phenylbutane-1,3-dione; titanium Openeye Name: 2-hydroxy-2-oxo-ethanolate; 1-phenylbutane-1,3-dione; titanium CAS Name: 2-hydroxy-2-oxoethanolate; 1-phenylbutane-1,3-dione; titanium IUPAC Name: 2-hydroxy-2-oxoethanolate; 1-phenylbutane-1,3-dione; titanium Traditional Name: 2-hydroxy-2-keto-ethanolate; 1-phenylbutane-1,3-dione; titanium Formula: C24H24O10Ti-4 MolecularWeight: 520.30836

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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.C(C(=O)O)[O-].C(C(=O)O)[O-].[Ti]

Isomeric SMILES

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

InChI

InChI=1S/2C10H9O2.2C2H3O3.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*3-1-2(4)5;/h2*2-7H,1H3;2*1H2,(H,4,5);/q4*-1;