magnesium 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: magnesium 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: magnesium 2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: magnesium 2-amino-3-(3,4-dihydroxyphenyl)propanoate IUPAC Name: magnesium 2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: magnesium 2-amino-3-(3,4-dihydroxyphenyl)propionate Formula: C18H20MgN2O8 MolecularWeight: 416.665

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])N)O)O.C1=CC(=C(C=C1CC(C(=O)[O-])N)O)O.[Mg+2]

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)[O-])N)O)O.C1=CC(=C(C=C1CC(C(=O)[O-])N)O)O.[Mg+2]

InChI

InChI=1S/2C9H11NO4.Mg/c2*10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h2*1-2,4,6,11-12H,3,10H2,(H,13,14);/q;;+2/p-2