2-[[(2-methyl-3-oxidanyl-3-oxidanylidene-1-pyridin-3-yl-propyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[(2-methyl-3-oxidanyl-3-oxidanylidene-1-pyridin-3-yl-propyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[3-hydroxy-2-methyl-3-oxo-1-(3-pyridyl)propyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[3-hydroxy-2-methyl-3-oxo-1-(3-pyridinyl)propyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-(3-hydroxy-2-methyl-3-oxo-1-pyridin-3-ylpropyl)phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[3-hydroxy-3-keto-2-methyl-1-(3-pyridyl)propyl]phosphoryl]methyl]glutaric acid Formula: C15H20NO8P MolecularWeight: 373.294961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20NO8P/c1-9(14(19)20)13(10-3-2-6-16-7-10)25(23,24)8-11(15(21)22)4-5-12(17)18/h2-3,6-7,9,11,13H,4-5,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)