magnesium 2-oxidanidyloxycarbonylbenzoate dodecahydrate

Systemtic Name: magnesium 2-oxidanidyloxycarbonylbenzoate dodecahydrate Openeye Name: magnesium 2-oxidooxycarbonylbenzoate dodecahydrate CAS Name: magnesium 2-[oxidooxy(oxo)methyl]benzoate dodecahydrate IUPAC Name: magnesium 2-oxidooxycarbonylbenzoate dodecahydrate Traditional Name: magnesium 2-oxidooxycarbonylbenzoate dodecahydrate Formula: C16H32MgO22-2 MolecularWeight: 600.71708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O5.Mg.12H2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)13-12;;;;;;;;;;;;;/h2*1-4,12H,(H,9,10);;12*1H2/q;;+2;;;;;;;;;;;;/p-4