magnesium 2-phenylbutanoate decahydrate

Systemtic Name: magnesium 2-phenylbutanoate decahydrate Openeye Name: magnesium 2-phenylbutanoate decahydrate CAS Name: magnesium 2-phenylbutanoate decahydrate IUPAC Name: magnesium 2-phenylbutanoate decahydrate Traditional Name: magnesium 2-phenylbutyrate decahydrate Formula: C20H42MgO14 MolecularWeight: 530.84408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H12O2.Mg.10H2O/c2*1-2-9(10(11)12)8-6-4-3-5-7-8;;;;;;;;;;;/h2*3-7,9H,2H2,1H3,(H,11,12);;10*1H2/q;;+2;;;;;;;;;;/p-2