disodium 4-[[(4-carboxylatophenyl)methyl-oxidanyl-amino]methyl]benzoate

Systemtic Name: disodium 4-[[(4-carboxylatophenyl)methyl-oxidanyl-amino]methyl]benzoate Openeye Name: disodium 4-[[(4-carboxylatophenyl)methyl-hydroxy-amino]methyl]benzoate CAS Name: disodium 4-[[(4-carboxylatophenyl)methyl-hydroxyamino]methyl]benzoate IUPAC Name: disodium 4-[[(4-carboxylatophenyl)methyl-hydroxyamino]methyl]benzoate Traditional Name: disodium 4-[[(4-carboxylatobenzyl)-hydroxy-amino]methyl]benzoate Formula: C16H13NNa2O5 MolecularWeight: 345.25766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CC=C(C=C2)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H15NO5.2Na/c18-15(19)13-5-1-11(2-6-13)9-17(22)10-12-3-7-14(8-4-12)16(20)21;;/h1-8,22H,9-10H2,(H,18,19)(H,20,21);;/q;2*+1/p-2