(Z)-3-oxidanyl-1-phenyl-3-pyridin-1-ium-3-yl-prop-2-en-1-one; titanium

Systemtic Name: (Z)-3-oxidanyl-1-phenyl-3-pyridin-1-ium-3-yl-prop-2-en-1-one; titanium Openeye Name: (Z)-3-hydroxy-1-phenyl-3-pyridin-1-ium-3-yl-prop-2-en-1-one; titanium CAS Name: (Z)-3-hydroxy-1-phenyl-3-(3-pyridin-1-iumyl)-2-propen-1-one; titanium IUPAC Name: (Z)-3-hydroxy-1-phenyl-3-pyridin-1-ium-3-ylprop-2-en-1-one; titanium Traditional Name: (Z)-3-hydroxy-1-phenyl-3-pyridin-1-ium-3-yl-prop-2-en-1-one; titanium Formula: C28H24N2O4Ti+2 MolecularWeight: 500.36816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C(C2=C[NH+]=CC=C2)O.C1=CC=C(C=C1)C(=O)C=C(C2=C[NH+]=CC=C2)O.[Ti]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C(\O)/C2=C[NH+]=CC=C2.C1=CC=C(C=C1)C(=O)/C=C(\O)/C2=C[NH+]=CC=C2.[Ti]

InChI

InChI=1S/2C14H11NO2.Ti/c2*16-13(11-5-2-1-3-6-11)9-14(17)12-7-4-8-15-10-12;/h2*1-10,17H;/p+2/b2*14-9-;