magnesium 3-methyl-2-phenyl-pentanoate hydrate

Systemtic Name: magnesium 3-methyl-2-phenyl-pentanoate hydrate Openeye Name: magnesium 3-methyl-2-phenyl-pentanoate hydrate CAS Name: magnesium 3-methyl-2-phenylpentanoate hydrate IUPAC Name: magnesium 3-methyl-2-phenylpentanoate hydrate Traditional Name: magnesium 3-methyl-2-phenyl-valerate hydrate Formula: C24H32MgO5 MolecularWeight: 424.81288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H16O2.Mg.H2O/c2*1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;;/h2*4-9,11H,3H2,1-2H3,(H,13,14);;1H2/q;;+2;/p-2