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4-phosphonobutan-2-ylphosphonic acid

4-phosphonobutan-2-ylphosphonic acid

Systemtic Name:4-phosphonobutan-2-ylphosphonic acid
Openeye Name:(1-methyl-3-phosphono-propyl)phosphonic acid
CAS Name:4-phosphonobutan-2-ylphosphonic acid
IUPAC Name:4-phosphonobutan-2-ylphosphonic acid
Traditional Name:(1-methyl-3-phosphono-propyl)phosphonic acid
Formula: C4H12O6P2
MolecularWeight: 218.082002
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C4H12O6P2/c1-4(12(8,9)10)2-3-11(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)(H2,8,9,10)


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