dipotassium 4-[[(4-carboxyphenyl)methyl-oxidanyl-amino]methyl]benzoic acid hydrate

Systemtic Name: dipotassium 4-[[(4-carboxyphenyl)methyl-oxidanyl-amino]methyl]benzoic acid hydrate Openeye Name: dipotassium 4-[[(4-carboxyphenyl)methyl-hydroxy-amino]methyl]benzoic acid hydrate CAS Name: dipotassium 4-[[(4-carboxyphenyl)methyl-hydroxyamino]methyl]benzoic acid hydrate IUPAC Name: dipotassium 4-[[(4-carboxyphenyl)methyl-hydroxyamino]methyl]benzoic acid hydrate Traditional Name: dipotassium 4-[[(4-carboxybenzyl)-hydroxy-amino]methyl]benzoic acid hydrate Formula: C16H17K2NO6+2 MolecularWeight: 397.50588

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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.O.[K+].[K+]

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5.2K.H2O/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);;;1H2/q;2*+1;