Butanoic acid, 4-oxo-4-phosphono-, sodium salt (1:3)
C4H7O6P.3Na
864167-45-3 Copyright (C) 2025 ACS
 12 10  0  0  0  0  0  0  0  0999 V2000
    2.6675    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8501    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.0012    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    2.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    5.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <cas.rn>
864167-45-3

> <ca.index.name>
Butanoic acid, 4-oxo-4-phosphono-, sodium salt (1:3)

> <molecular.formula>
C4H7O6P.3Na

> <smiles.canonical>
[Na].O=C(O)CCC(=O)P(=O)(O)O

> <molecular.weight>
251.04

$$$$
