calcium (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: calcium (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: calcium (E)-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: calcium (E)-1-ethoxy-3-oxo-1-buten-1-olate IUPAC Name: calcium (E)-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: calcium (E)-1-ethoxy-3-keto-but-1-en-1-olate Formula: C12H18CaO6 MolecularWeight: 298.34572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC(=O)C)[O-].CCOC(=CC(=O)C)[O-].[Ca+2]

Isomeric SMILES

CCO/C(=C/C(=O)C)/[O-].CCO/C(=C/C(=O)C)/[O-].[Ca+2]

InChI

InChI=1S/2C6H10O3.Ca/c2*1-3-9-6(8)4-5(2)7;/h2*4,8H,3H2,1-2H3;/q;;+2/p-2/b2*6-4+;