(Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide

Systemtic Name: (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide Openeye Name: (Z)-3-oxo-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide CAS Name: (Z)-3-oxo-1-phenyl-1-buten-1-olate; titanium(4+); dibromide IUPAC Name: (Z)-3-oxo-1-phenylbut-1-en-1-olate; titanium(4+); dibromide Traditional Name: (Z)-3-keto-1-phenyl-but-1-en-1-olate; titanium(4+); dibromide Formula: C20H18Br2O4Ti MolecularWeight: 530.02952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Ti+4].[Br-].[Br-]

InChI

InChI=1S/2C10H10O2.2BrH.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;;;/h2*2-7,12H,1H3;2*1H;/q;;;;+4/p-4/b2*10-7-;;;