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

Systemtic Name: 2-ethoxyethanolate; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: 2-ethoxyethanolate; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: 2-ethoxyethanolate; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: 2-ethoxyethanolate; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: 2-ethoxyethanolate; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C28H36O8Ti MolecularWeight: 548.44764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H9O2.2C4H9O2.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-6-4-3-5;/h2*2-7H,1H3;2*2-4H2,1H3;/q4*-1;+4