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

Systemtic Name: 2-[[(2-carboxy-4-methyl-5-oxidanylidene-5-phenylmethoxy-pentyl)-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(5-benzyloxy-2-carboxy-4-methyl-5-oxo-pentyl)-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(2-carboxy-4-methyl-5-oxo-5-phenylmethoxypentyl)-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(2-carboxy-4-methyl-5-oxo-5-phenylmethoxypentyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(5-benzoxy-2-carboxy-5-keto-4-methyl-pentyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C20H27O10P MolecularWeight: 458.396141

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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)OCC1=CC=CC=C1

Isomeric SMILES

CC(CC(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H27O10P/c1-13(20(27)30-10-14-5-3-2-4-6-14)9-16(19(25)26)12-31(28,29)11-15(18(23)24)7-8-17(21)22/h2-6,13,15-16H,7-12H2,1H3,(H,21,22)(H,23,24)(H,25,26)(H,28,29)