magnesium (E)-1,5-diethoxy-3,5-bis(oxidanylidene)pent-1-en-1-olate dihydrate

Systemtic Name: magnesium (E)-1,5-diethoxy-3,5-bis(oxidanylidene)pent-1-en-1-olate dihydrate Openeye Name: magnesium (E)-1,5-diethoxy-3,5-dioxo-pent-1-en-1-olate dihydrate CAS Name: magnesium (E)-1,5-diethoxy-3,5-dioxo-1-penten-1-olate dihydrate IUPAC Name: magnesium (E)-1,5-diethoxy-3,5-dioxopent-1-en-1-olate dihydrate Traditional Name: magnesium (E)-1,5-diethoxy-3,5-diketo-pent-1-en-1-olate dihydrate Formula: C18H30MgO12 MolecularWeight: 462.7286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CC(=O)/C=C(/OCC)\[O-].CCOC(=O)CC(=O)/C=C(/OCC)\[O-].O.O.[Mg+2]

InChI

InChI=1S/2C9H14O5.Mg.2H2O/c2*1-3-13-8(11)5-7(10)6-9(12)14-4-2;;;/h2*5,11H,3-4,6H2,1-2H3;;2*1H2/q;;+2;;/p-2/b2*8-5+;;;