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

Systemtic Name: 2-[[(2-carboxy-5-oxidanyl-5-oxidanylidene-pentyl)-oxidanyl-phosphoryl]methyl]-4-(phenylmethyl)pentanedioic acid Openeye Name: 2-benzyl-4-[[(2-carboxy-5-hydroxy-5-oxo-pentyl)-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]methyl]-4-(phenylmethyl)pentanedioic acid IUPAC Name: 2-benzyl-4-[[(2-carboxy-5-hydroxy-5-oxopentyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-benzyl-4-[[(2-carboxy-5-hydroxy-5-keto-pentyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C19H25O10P MolecularWeight: 444.369561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O10P/c20-16(21)7-6-13(17(22)23)10-30(28,29)11-15(19(26)27)9-14(18(24)25)8-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)