2-[4-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]phenoxy]propanedioate

Systemtic Name: 2-[4-[(2R)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]phenoxy]propanedioate Openeye Name: 2-[4-[(2R)-2-azaniumyl-3-oxido-3-oxo-propyl]phenoxy]propanedioate CAS Name: 2-[4-[(2R)-2-ammonio-3-oxido-3-oxopropyl]phenoxy]propanedioate IUPAC Name: 2-[4-[(2R)-2-azaniumyl-3-oxido-3-oxopropyl]phenoxy]propanedioate Traditional Name: 2-[4-[(2R)-2-ammonio-3-keto-3-oxido-propyl]phenoxy]malonate Formula: C12H11NO7-2 MolecularWeight: 281.21824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])[NH3+])OC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C(=O)[O-])[NH3+])OC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13NO7/c13-8(10(14)15)5-6-1-3-7(4-2-6)20-9(11(16)17)12(18)19/h1-4,8-9H,5,13H2,(H,14,15)(H,16,17)(H,18,19)/p-2/t8-/m1/s1