
 AH 6809

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.2237    3.8445   -2.4416 C   0  0  0  0  0
    3.2323    3.2472   -1.0370 C   0  0  0  0  0
    1.8539    2.6791   -0.7051 C   0  0  0  0  0
    4.1538    2.1532   -0.9746 O   0  0  0  0  0
    5.4724    2.3978   -0.7144 C   0  0  0  0  0
    6.2697    1.2481   -0.6562 C   0  0  0  0  0
    7.6404    1.3415   -0.4086 C   0  0  0  0  0
    8.2156    2.5927   -0.2164 C   0  0  0  0  0
    7.4330    3.7482   -0.2675 C   0  0  0  0  0
    6.0609    3.6484   -0.5186 C   0  0  0  0  0
    9.6610    2.6737    0.0332 C   0  0  0  0  0
   10.2202    3.7458    0.2184 O   0  0  0  0  0
   10.4028    1.4053    0.0488 C   0  0  0  0  0
    9.6974    0.2202   -0.1521 C   0  0  0  0  0
    8.3430    0.1620   -0.3727 O   0  0  0  0  0
   10.3784   -0.9977   -0.1349 C   0  0  0  0  0
   11.7601   -1.0253    0.0823 C   0  0  0  0  0
   12.4675    0.1691    0.2817 C   0  0  0  0  0
   11.7854    1.3903    0.2619 C   0  0  0  0  0
   13.9318    0.1850    0.5129 C   0  0  0  0  0
   14.6326    1.1765    0.5870 O   0  0  0  0  0
   14.4469   -1.0475    0.6612 O   0  0  0  0  0
    4.2042    4.2522   -2.7061 H   0  0  0  0  0
    2.4854    4.6481   -2.5247 H   0  0  0  0  0
    2.9932    3.0784   -3.1904 H   0  0  0  0  0
    3.4561    4.0096   -0.2827 H   0  0  0  0  0
    1.5755    1.8836   -1.4053 H   0  0  0  0  0
    1.0854    3.4577   -0.7336 H   0  0  0  0  0
    1.8585    2.2307    0.2944 H   0  0  0  0  0
    5.8138    0.2727   -0.8097 H   0  0  0  0  0
    7.8881    4.7252   -0.1175 H   0  0  0  0  0
    5.4892    4.5693   -0.5615 H   0  0  0  0  0
    9.8367   -1.9278   -0.2902 H   0  0  0  0  0
   12.2761   -1.9831    0.0917 H   0  0  0  0  0
   12.3235    2.3251    0.4143 H   0  0  0  0  0
   15.3999   -0.8835    0.8251 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 35  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
AH 6809

>  <PubChem CID>
119461

>  <Formula>
C17H14O5

>  <Molecular Weight>
298.294000

>  <IUPAC Name>
9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

>  <Isomeric SMILES>
CC(C)OC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)

>  <InChI Key>
AQFFXPQJLZFABJ-UHFFFAOYSA-N

