2-[2,3-bis(oxidanyl)propyl]-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(2,3-dihydroxypropyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(2,3-dihydroxypropyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(2,3-dihydroxypropyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-glyceryl-2,4-diphosphono-glutaric acid Formula: C8H16O12P2 MolecularWeight: 366.152962

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)O)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C(C(CO)O)C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C8H16O12P2/c9-3-4(10)1-8(7(13)14,22(18,19)20)2-5(6(11)12)21(15,16)17/h4-5,9-10H,1-3H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)