
 OpenBabel04291915373D

 44 47  0  0  0  0  0  0  0  0999 V2000
   13.5046    8.6688   13.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1761    8.0344   12.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5046    7.3988   11.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1761    6.7645   10.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5190    6.7658   10.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1761    9.3044   14.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5016    6.1260    9.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1951    5.4708    8.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2073    4.8391    7.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9673    4.1211    6.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9796    3.4894    5.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6731    2.8342    4.3743 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9986    2.1957    3.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6700    1.5614    2.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0129    1.5618    2.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6844    0.9275    1.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0273    0.9279    1.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6411    1.5081    2.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6546    0.3353    0.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9986    0.9267    1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6556    0.9263    1.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9842    0.2916    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0879   -0.9368   -1.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7594   -0.3021   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1023   -0.3017   -0.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7296    0.2912    0.4725 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4726    8.6677   13.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2081    8.0355   12.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4726    7.3978   11.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3437    6.4280    9.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3009    9.8638   15.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8113    4.7086    8.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8092    6.1724    7.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5911    5.6013    7.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5932    4.1375    7.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5835    3.3588    6.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5814    4.8227    5.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3634    4.2516    4.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3654    2.7878    5.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5289    2.0496    3.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1684    0.4397    0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396    1.4137    2.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2434    0.1853    0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183   -0.7892   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 26  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
>  <SKU>
A11521

>  <Product Name>
PAP-1 (5-(4-Phenoxybutoxy)psoralen)

>  <CAS>
870653-45-5

>  <M.Wt>
350.36462

>  <Formula>
C21H18O5

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/pap-1-5-4-phenoxybutoxy-psoralen.html

$$$$
