2-[[oxidanyl-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[oxidanyl-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(2-benzyl-3-hydroxy-3-oxo-propyl)-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[3-hydroxy-3-oxo-2-(phenylmethyl)propyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(2-benzyl-3-hydroxy-3-oxopropyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(2-benzyl-3-hydroxy-3-keto-propyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C16H21O8P MolecularWeight: 372.306901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21O8P/c17-14(18)7-6-12(15(19)20)9-25(23,24)10-13(16(21)22)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)