magnesium (Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate hydrate

Systemtic Name: magnesium (Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate hydrate Openeye Name: magnesium (Z)-2,2,6,6-tetramethyl-5-oxo-hept-3-en-3-olate hydrate CAS Name: magnesium (Z)-2,2,6,6-tetramethyl-5-oxo-3-hepten-3-olate hydrate IUPAC Name: magnesium (Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate hydrate Traditional Name: magnesium (Z)-5-keto-2,2,6,6-tetramethyl-hept-3-en-3-olate hydrate Formula: C22H40MgO5 MolecularWeight: 408.855

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H20O2.Mg.H2O/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h2*7,12H,1-6H3;;1H2/q;;+2;/p-2/b2*8-7-;;