copper (Z)-3-oxidanylidene-2-(phenylmethyl)but-1-en-1-olate

Systemtic Name: copper (Z)-3-oxidanylidene-2-(phenylmethyl)but-1-en-1-olate Openeye Name: copper (Z)-2-benzyl-3-oxo-but-1-en-1-olate CAS Name: copper (Z)-3-oxo-2-(phenylmethyl)-1-buten-1-olate IUPAC Name: copper (Z)-2-benzyl-3-oxobut-1-en-1-olate Traditional Name: cupric (Z)-2-benzyl-3-keto-but-1-en-1-olate Formula: C22H22CuO4 MolecularWeight: 413.95368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C[O-])CC1=CC=CC=C1.CC(=O)C(=C[O-])CC1=CC=CC=C1.[Cu+2]

Isomeric SMILES

CC(=O)/C(=C\[O-])/CC1=CC=CC=C1.CC(=O)/C(=C\[O-])/CC1=CC=CC=C1.[Cu+2]

InChI

InChI=1S/2C11H12O2.Cu/c2*1-9(13)11(8-12)7-10-5-3-2-4-6-10;/h2*2-6,8,12H,7H2,1H3;/q;;+2/p-2/b2*11-8-;