1,3,4-triphosphonobutan-2-ylphosphonic acid

Systemtic Name: 1,3,4-triphosphonobutan-2-ylphosphonic acid Openeye Name: [2,3-diphosphono-1-(phosphonomethyl)propyl]phosphonic acid CAS Name: 1,3,4-triphosphonobutan-2-ylphosphonic acid IUPAC Name: 1,3,4-triphosphonobutan-2-ylphosphonic acid Traditional Name: [2,3-diphosphono-1-(phosphonomethyl)propyl]phosphonic acid Formula: C4H14O12P4 MolecularWeight: 378.041804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H14O12P4/c5-17(6,7)1-3(19(11,12)13)4(20(14,15)16)2-18(8,9)10/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)