Etomoxir
C17H23ClO4
124083-20-1 Copyright (C) 2024 ACS
 22 23  0  0  1  0  0  0  0  0999 V2000
   15.6606    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1772    1.7147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1339    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1672    0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6838    0.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9370    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.6707    2.6270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6606    3.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1440    4.0742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 14  1  1  6  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
 14  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <cas.rn>
124083-20-1

> <cas.index.name>
2-Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester, (2R)-

> <molecular.formula>
C17H23ClO4

> <molecular.weight>
326.82

> <boiling.point.predicted>
405.029±25.00 °C    Press: 760.00 Torr

> <density.predicted>
1.164±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
