disodium 2-oxidanyl-2-(oxidanylcarbamoyl)-3-phenyl-pentanedioate

Systemtic Name: disodium 2-oxidanyl-2-(oxidanylcarbamoyl)-3-phenyl-pentanedioate Openeye Name: disodium 2-hydroxy-2-(hydroxycarbamoyl)-3-phenyl-pentanedioate CAS Name: disodium 2-hydroxy-2-[(hydroxyamino)-oxomethyl]-3-phenylpentanedioate IUPAC Name: disodium 2-hydroxy-2-(hydroxycarbamoyl)-3-phenylpentanedioate Traditional Name: disodium 2-hydroxy-2-(hydroxycarbamoyl)-3-phenyl-glutarate Formula: C12H11NNa2O7 MolecularWeight: 327.19778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])C(C(=O)NO)(C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)[O-])C(C(=O)NO)(C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C12H13NO7.2Na/c14-9(15)6-8(7-4-2-1-3-5-7)12(19,11(17)18)10(16)13-20;;/h1-5,8,19-20H,6H2,(H,13,16)(H,14,15)(H,17,18);;/q;2*+1/p-2