2-(2-oxidanylpropyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(2-oxidanylpropyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(2-hydroxypropyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(2-hydroxypropyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(2-hydroxypropyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(2-hydroxypropyl)-2,4-diphosphono-glutaric acid Formula: C8H16O11P2 MolecularWeight: 350.153562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O11P2/c1-4(9)2-8(7(12)13,21(17,18)19)3-5(6(10)11)20(14,15)16/h4-5,9H,2-3H2,1H3,(H,10,11)(H,12,13)(H2,14,15,16)(H2,17,18,19)