2-[[(2-carboxy-5-oxidanyl-5-oxidanylidene-pentyl)-oxidanyl-phosphoryl]methyl]-4-methyl-pentanedioic acid

Systemtic Name: 2-[[(2-carboxy-5-oxidanyl-5-oxidanylidene-pentyl)-oxidanyl-phosphoryl]methyl]-4-methyl-pentanedioic acid Openeye Name: 2-[[(2-carboxy-5-hydroxy-5-oxo-pentyl)-hydroxy-phosphoryl]methyl]-4-methyl-pentanedioic acid CAS Name: 2-[[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]methyl]-4-methylpentanedioic acid IUPAC Name: 2-[[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]methyl]-4-methylpentanedioic acid Traditional Name: 2-[[(2-carboxy-5-hydroxy-5-keto-pentyl)-hydroxy-phosphoryl]methyl]-4-methyl-glutaric acid Formula: C13H21O10P MolecularWeight: 368.273601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21O10P/c1-7(11(16)17)4-9(13(20)21)6-24(22,23)5-8(12(18)19)2-3-10(14)15/h7-9H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H,22,23)