2-[[[(3-carboxyphenyl)amino]methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[(3-carboxyphenyl)amino]methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(3-carboxyanilino)methyl-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(3-carboxyanilino)methyl-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(3-carboxyanilino)methyl-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(3-carboxyanilino)methyl-hydroxy-phosphoryl]methyl]glutaric acid Formula: C14H18NO8P MolecularWeight: 359.268381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O

InChI

InChI=1S/C14H18NO8P/c16-12(17)5-4-10(14(20)21)7-24(22,23)8-15-11-3-1-2-9(6-11)13(18)19/h1-3,6,10,15H,4-5,7-8H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)