2-[[(2-carboxy-4-phenyl-butyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[(2-carboxy-4-phenyl-butyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(2-carboxy-4-phenyl-butyl)-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(2-carboxy-4-phenylbutyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(2-carboxy-4-phenyl-butyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C17H23O8P MolecularWeight: 386.333481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23O8P/c18-15(19)9-8-14(17(22)23)11-26(24,25)10-13(16(20)21)7-6-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)