2-[[[1,2-bis(oxidanyl)-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[[1,2-bis(oxidanyl)-2-phenyl-ethyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[(1,2-dihydroxy-2-phenyl-ethyl)-hydroxy-phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[(1,2-dihydroxy-2-phenylethyl)-hydroxyphosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[(1,2-dihydroxy-2-phenylethyl)-hydroxyphosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[(1,2-dihydroxy-2-phenyl-ethyl)-hydroxy-phosphoryl]methyl]glutaric acid Formula: C14H19O8P MolecularWeight: 346.269621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19O8P/c15-11(16)7-6-10(13(18)19)8-23(21,22)14(20)12(17)9-4-2-1-3-5-9/h1-5,10,12,14,17,20H,6-8H2,(H,15,16)(H,18,19)(H,21,22)