Ibuprofen sodium
C13H18O2.Na
31121-93-4 Copyright (C) 2024 ACS
 16 15  0  0  0  0  0  0  0  0999 V2000
    2.3100    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    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 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <cas.rn>
31121-93-4

> <cas.index.name>
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, sodium salt (1:1)

> <molecular.formula>
C13H18O2.Na

> <molecular.weight>
229.27

> <melting.point.experimental>
220-222 °C

$$$$
