4,4-diphosphonobutan-2-ylphosphonic acid

Systemtic Name: 4,4-diphosphonobutan-2-ylphosphonic acid Openeye Name: 1,3-diphosphonobutylphosphonic acid CAS Name: 4,4-diphosphonobutan-2-ylphosphonic acid IUPAC Name: 4,4-diphosphonobutan-2-ylphosphonic acid Traditional Name: 1,3-diphosphonobutylphosphonic acid Formula: C4H13O9P3 MolecularWeight: 298.061903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H13O9P3/c1-3(14(5,6)7)2-4(15(8,9)10)16(11,12)13/h3-4H,2H2,1H3,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)