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

Systemtic Name: ethyloxidanium; 1-phenyl-3-pyridin-3-yl-propane-1,3-dione; titanium(4+) Openeye Name: ethyloxonium; 1-phenyl-3-(3-pyridyl)propane-1,3-dione; titanium(4+) CAS Name: ethyloxonium; 1-phenyl-3-(3-pyridinyl)propane-1,3-dione; titanium(4+) IUPAC Name: ethyloxidanium; 1-phenyl-3-pyridin-3-ylpropane-1,3-dione; titanium(4+) Traditional Name: ethyloxonium; 1-phenyl-3-(3-pyridyl)propane-1,3-dione; titanium(4+) Formula: C32H34N2O6Ti+8 MolecularWeight: 590.48916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[OH2+].CC[OH2+].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[OH2+].CC[OH2+].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/2C14H10NO2.2C2H6O.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*3H,2H2,1H3;/q2*+1;;;+4/p+2