disodium 3-[(3-oxidanidyl-3-oxidanylidene-propyl)-phenyl-amino]propanoate

Systemtic Name: disodium 3-[(3-oxidanidyl-3-oxidanylidene-propyl)-phenyl-amino]propanoate Openeye Name: disodium 3-(N-(3-oxido-3-oxo-propyl)anilino)propanoate CAS Name: disodium 3-(N-(3-oxido-3-oxopropyl)anilino)propanoate IUPAC Name: disodium 3-(N-(3-oxido-3-oxopropyl)anilino)propanoate Traditional Name: disodium 3-(N-(3-keto-3-oxido-propyl)anilino)propionate Formula: C12H13NNa2O4 MolecularWeight: 281.21546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H15NO4.2Na/c14-11(15)6-8-13(9-7-12(16)17)10-4-2-1-3-5-10;;/h1-5H,6-9H2,(H,14,15)(H,16,17);;/q;2*+1/p-2