3-phosphonobutan-2-ylphosphonic acid

Systemtic Name: 3-phosphonobutan-2-ylphosphonic acid Openeye Name: (1-methyl-2-phosphono-propyl)phosphonic acid CAS Name: 3-phosphonobutan-2-ylphosphonic acid IUPAC Name: 3-phosphonobutan-2-ylphosphonic acid Traditional Name: (1-methyl-2-phosphono-propyl)phosphonic acid Formula: C4H12O6P2 MolecularWeight: 218.082002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H12O6P2/c1-3(11(5,6)7)4(2)12(8,9)10/h3-4H,1-2H3,(H2,5,6,7)(H2,8,9,10)