2-[(E)-1-[oxidanyl(pyridin-3-ylmethyl)phosphoryl]but-2-enyl]pentanedioic acid

Systemtic Name: 2-[(E)-1-[oxidanyl(pyridin-3-ylmethyl)phosphoryl]but-2-enyl]pentanedioic acid Openeye Name: 2-[(E)-1-[hydroxy(3-pyridylmethyl)phosphoryl]but-2-enyl]pentanedioic acid CAS Name: 2-[(E)-1-[hydroxy(3-pyridinylmethyl)phosphoryl]but-2-enyl]pentanedioic acid IUPAC Name: 2-[(E)-1-[hydroxy(pyridin-3-ylmethyl)phosphoryl]but-2-enyl]pentanedioic acid Traditional Name: 2-[(E)-1-[hydroxy(3-pyridylmethyl)phosphoryl]but-2-enyl]glutaric acid Formula: C15H20NO6P MolecularWeight: 341.296161

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(CCC(=O)O)C(=O)O)P(=O)(CC1=CN=CC=C1)O

Isomeric SMILES

C/C=C/C(C(CCC(=O)O)C(=O)O)P(=O)(CC1=CN=CC=C1)O

InChI

InChI=1S/C15H20NO6P/c1-2-4-13(12(15(19)20)6-7-14(17)18)23(21,22)10-11-5-3-8-16-9-11/h2-5,8-9,12-13H,6-7,10H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b4-2+