1,3,5-triphosphonopentan-3-ylphosphonic acid

Systemtic Name: 1,3,5-triphosphonopentan-3-ylphosphonic acid Openeye Name: [1,3-diphosphono-1-(2-phosphonoethyl)propyl]phosphonic acid CAS Name: 1,3,5-triphosphonopentan-3-ylphosphonic acid IUPAC Name: 1,3,5-triphosphonopentan-3-ylphosphonic acid Traditional Name: [1,3-diphosphono-1-(2-phosphonoethyl)propyl]phosphonic acid Formula: C5H16O12P4 MolecularWeight: 392.068384

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Descriptors Computed from Structure

Canonical SMILES:

C(CP(=O)(O)O)C(CCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CP(=O)(O)O)C(CCP(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H16O12P4/c6-18(7,8)3-1-5(20(12,13)14,21(15,16)17)2-4-19(9,10)11/h1-4H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)