
 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)

 48 51  0  0  0  0  0  0  0  0999 V2000
   -5.2507   -0.2824    0.3863 C   0  0  0  0  0
   -4.8684    0.9917    0.7890 C   0  0  0  0  0
   -3.6009    1.1981    1.3362 C   0  0  0  0  0
   -2.6947    0.1399    1.4626 C   0  0  0  0  0
   -3.0655   -1.1453    1.0215 C   0  0  0  0  0
   -4.3592   -1.3478    0.5187 C   0  0  0  0  0
   -2.1805   -2.1772    1.1713 O   0  0  0  0  0
   -2.1840   -3.2248    0.1925 C   0  0  0  0  0
   -2.4251   -4.5897    0.8561 C   0  0  0  0  0
   -1.4518   -4.8056    2.0208 C   0  0  0  0  0
   -1.6128   -6.1355    2.5345 O   0  0  0  0  0
   -0.8097   -6.4939    3.5918 C   0  0  0  0  0
    0.2181   -5.6663    4.0790 C   0  0  0  0  0
    1.0164   -6.0598    5.1534 C   0  0  0  0  0
    0.7953   -7.2862    5.7624 C   0  0  0  0  0
   -0.2229   -8.1188    5.2976 C   0  0  0  0  0
   -1.0246   -7.7417    4.2129 C   0  0  0  0  0
   -2.0791   -8.6972    3.7882 C   0  0  0  0  0
   -2.8047   -8.5252    2.8151 O   0  0  0  0  0
   -2.2348   -9.9130    4.6102 C   0  0  0  0  0
   -1.3998  -10.1404    5.6346 C   0  0  0  0  0
   -0.3647   -9.2975    5.9834 O   0  0  0  0  0
   -1.5683  -11.4169    6.5103 C   0  0  0  0  0
   -2.6491  -12.0552    6.3499 O   0  0  0  0  0
   -0.6008  -11.6743    7.2858 O   0  0  0  0  0
   -3.7813   -4.6883    1.3143 O   0  0  0  0  0
   -1.3702    0.4446    2.0613 C   0  0  0  0  0
   -0.4786   -0.3839    2.2090 O   0  0  0  0  0
   -1.1455    1.8397    2.4837 C   0  0  0  0  0
   -2.1031    2.7579    2.3003 C   0  0  0  0  0
   -3.3334    2.4848    1.7292 O   0  0  0  0  0
   -1.8579    4.2301    2.7334 C   0  0  0  0  0
   -2.8924    4.9556    2.8030 O   0  0  0  0  0
   -0.6522    4.5422    2.9619 O   0  0  0  0  0
   -6.2465   -0.4523   -0.0128 H   0  0  0  0  0
   -5.5565    1.8286    0.7008 H   0  0  0  0  0
   -4.7055   -2.3430    0.2524 H   0  0  0  0  0
   -1.1845   -3.2243   -0.2593 H   0  0  0  0  0
   -2.8901   -3.0563   -0.6271 H   0  0  0  0  0
   -2.2987   -5.3836    0.1114 H   0  0  0  0  0
   -1.6681   -4.0901    2.8228 H   0  0  0  0  0
   -0.4304   -4.6792    1.6429 H   0  0  0  0  0
    0.4277   -4.6922    3.6467 H   0  0  0  0  0
    1.8023   -5.4030    5.5156 H   0  0  0  0  0
    1.4040   -7.6013    6.6060 H   0  0  0  0  0
   -3.0355  -10.5946    4.3525 H   0  0  0  0  0
   -3.8063   -5.4818    1.8881 H   0  0  0  0  0
   -0.1889    2.0805    2.9315 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 31  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 26  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 22  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 26 47  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  2  0  0  0
 29 48  1  0  0  0
 30 31  1  0  0  0
 30 32  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
M  CHG  2  25  -1  34  -1
M  END

>  <Chemical Name>
5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)

>  <PubChem CID>
2881

>  <Formula>
C23H14O11-2

>  <Molecular Weight>
466.354000

>  <IUPAC Name>
5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylate

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-]

>  <Isomeric SMILES>
C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-]

>  <InChI Std. ID>
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)/p-2

>  <InChI Key>
IMZMKUWMOSJXDT-UHFFFAOYSA-L

