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

Systemtic Name: calcium (E)-1-methoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: calcium (E)-1-methoxy-3-oxo-but-1-en-1-olate CAS Name: calcium (E)-1-methoxy-3-oxo-1-buten-1-olate IUPAC Name: calcium (E)-1-methoxy-3-oxobut-1-en-1-olate Traditional Name: calcium (E)-3-keto-1-methoxy-but-1-en-1-olate Formula: C10H14CaO6 MolecularWeight: 270.29256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C=C(/OC)\[O-].CC(=O)/C=C(/OC)\[O-].[Ca+2]

InChI

InChI=1S/2C5H8O3.Ca/c2*1-4(6)3-5(7)8-2;/h2*3,7H,1-2H3;/q;;+2/p-2/b2*5-3+;