
 OpenBabel04291915483D

 19 19  0  0  1  0  0  0  0  0999 V2000
    0.9822   -0.0185   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4642   -0.0185   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780    0.1817    0.9475 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.2463   -1.2844 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970   -0.2463   -1.2844 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1037   -0.5161   -2.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237   -0.5161   -2.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270   -0.8374   -4.3678 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910   -1.3031   -0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944   -1.2726    0.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256   -0.2085   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256    0.9345    0.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6256   -0.7816    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6702   -0.4068   -2.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9537    0.7067   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470    0.2470   -3.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470   -1.4691   -3.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803   -1.2791   -2.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9803    0.4369   -2.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <SKU>
A16456

>  <Product Name>
Citiolone

>  <CAS>
1195-16-0

>  <M.Wt>
159.20616

>  <Formula>
C6H9NO2S

>  <Synonyms>
Thioxidrene

>  <URL>
https://www.adooq.com/citiolone.html

$$$$
