2-[[(4-carboxyphenyl)methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[(4-carboxyphenyl)methyl-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(4-carboxyphenyl)methyl-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(4-carboxyphenyl)methyl-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(4-carboxyphenyl)methyl-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(4-carboxybenzyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C14H17O8P MolecularWeight: 344.253741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O

InChI

InChI=1S/C14H17O8P/c15-12(16)6-5-11(14(19)20)8-23(21,22)7-9-1-3-10(4-2-9)13(17)18/h1-4,11H,5-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)