1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+)

Systemtic Name: 1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+) Openeye Name: 1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+) CAS Name: 1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+) IUPAC Name: 1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+) Traditional Name: 1,3-diphenylpropane-1,3-dione; ethanolate; titanium(4+) Formula: C34H32O6Ti MolecularWeight: 584.48128

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Descriptors Computed from Structure

Canonical SMILES:

CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]

Isomeric SMILES

CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]

InChI

InChI=1S/2C15H11O2.2C2H5O.Ti/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-2-3;/h2*1-11H;2*2H2,1H3;/q4*-1;+4