ethanolate; 1-phenyl-3-pyridin-3-yl-propane-1,3-dione; titanium(4+)

Systemtic Name: ethanolate; 1-phenyl-3-pyridin-3-yl-propane-1,3-dione; titanium(4+) Openeye Name: ethanolate; 1-phenyl-3-(3-pyridyl)propane-1,3-dione; titanium(4+) CAS Name: ethanolate; 1-phenyl-3-(3-pyridinyl)propane-1,3-dione; titanium(4+) IUPAC Name: ethanolate; 1-phenyl-3-pyridin-3-ylpropane-1,3-dione; titanium(4+) Traditional Name: ethanolate; 1-phenyl-3-(3-pyridyl)propane-1,3-dione; titanium(4+) Formula: C32H30N2O6Ti MolecularWeight: 586.4574

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H10NO2.2C2H5O.Ti/c2*16-13(11-5-2-1-3-6-11)9-14(17)12-7-4-8-15-10-12;2*1-2-3;/h2*1-10H;2*2H2,1H3;/q4*-1;+4