
 acrylic acid derivative, 6

 57 59  0  0  0  0  0  0  0  0999 V2000
    0.6661   -0.4240    0.0915 C   0  0  0  0  0
    2.1676   -0.4386    0.2307 C   0  0  0  0  0
    2.8687   -1.6567    0.2837 C   0  0  0  0  0
    4.2607   -1.7100    0.4608 C   0  0  0  0  0
    4.9900   -0.5023    0.5063 C   0  0  0  0  0
    6.4892   -0.5192    0.6307 C   0  0  0  0  0
    7.0917    0.8218    0.2493 C   0  0  0  0  0
    6.3302    1.9745    0.9117 C   0  0  0  0  0
    4.9389    1.9376    0.5385 O   0  0  0  0  0
    4.3052    0.7227    0.4506 C   0  0  0  0  0
    2.9043    0.7681    0.2797 C   0  0  0  0  0
    2.2002    2.1017    0.1920 C   0  0  0  0  0
    6.4219    1.9377    2.4477 C   0  0  0  0  0
    6.8443    3.3397    0.3860 C   0  0  0  0  0
    8.3243    3.6244    0.6384 C   0  0  0  0  0
    8.6301    4.9317    0.1463 O   0  0  0  0  0
    9.9314    5.3574    0.2676 C   0  0  0  0  0
   10.9581    4.6108    0.8599 C   0  0  0  0  0
   12.2570    5.1223    0.9398 C   0  0  0  0  0
   12.5455    6.3837    0.4289 C   0  0  0  0  0
   11.5338    7.1388   -0.1605 C   0  0  0  0  0
   10.2265    6.6356   -0.2446 C   0  0  0  0  0
    9.1998    7.4847   -0.8578 C   0  0  0  0  0
    8.5396    8.4015   -0.1387 C   0  0  0  0  0
    7.5337    9.2511   -0.7851 C   0  0  0  0  0
    7.2612    9.3118   -1.9674 O   0  0  0  0  0
    6.9147   10.0124    0.1319 O   0  0  0  0  0
    4.9626   -3.0436    0.5320 C   0  0  0  0  0
    2.2131   -2.8545    0.1522 O   0  0  0  0  0
    0.2190    0.4781    0.5185 H   0  0  0  0  0
    0.2103   -1.2578    0.6361 H   0  0  0  0  0
    0.3893   -0.4915   -0.9652 H   0  0  0  0  0
    6.7600   -0.7781    1.6611 H   0  0  0  0  0
    6.9206   -1.2814   -0.0286 H   0  0  0  0  0
    8.1533    0.8243    0.5185 H   0  0  0  0  0
    7.0314    0.9303   -0.8425 H   0  0  0  0  0
    2.8805    2.9257   -0.0428 H   0  0  0  0  0
    1.7076    2.3266    1.1431 H   0  0  0  0  0
    1.4567    2.0921   -0.6121 H   0  0  0  0  0
    5.8765    1.0882    2.8722 H   0  0  0  0  0
    5.9630    2.8327    2.8839 H   0  0  0  0  0
    7.4589    1.8775    2.7928 H   0  0  0  0  0
    6.2424    4.1511    0.8196 H   0  0  0  0  0
    6.6440    3.4172   -0.6920 H   0  0  0  0  0
    8.9359    2.8883    0.1058 H   0  0  0  0  0
    8.5313    3.5861    1.7130 H   0  0  0  0  0
   10.7848    3.6235    1.2736 H   0  0  0  0  0
   13.0439    4.5314    1.4028 H   0  0  0  0  0
   13.5560    6.7793    0.4897 H   0  0  0  0  0
   11.7694    8.1240   -0.5568 H   0  0  0  0  0
    9.0082    7.3276   -1.9165 H   0  0  0  0  0
    8.7137    8.5490    0.9204 H   0  0  0  0  0
    6.2689   10.5268   -0.3947 H   0  0  0  0  0
    4.2913   -3.8494    0.8449 H   0  0  0  0  0
    5.7682   -3.0236    1.2731 H   0  0  0  0  0
    5.3788   -3.2989   -0.4474 H   0  0  0  0  0
    1.3837   -2.7076   -0.3277 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
acrylic acid derivative, 6

>  <PubChem CID>
44520989

>  <Formula>
C24H28O5

>  <Molecular Weight>
396.483000

>  <IUPAC Name>
(E)-3-[2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]phenyl]prop-2-enoic acid

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=C2CCC(OC2=C1C)(C)CCOC3=CC=CC=C3C=CC(=O)O)C)O

>  <Isomeric SMILES>
CC1=C(C(=C2CCC(OC2=C1C)(C)CCOC3=CC=CC=C3/C=C/C(=O)O)C)O

>  <InChI Std. ID>
InChI=1S/C24H28O5/c1-15-16(2)23-19(17(3)22(15)27)11-12-24(4,29-23)13-14-28-20-8-6-5-7-18(20)9-10-21(25)26/h5-10,27H,11-14H2,1-4H3,(H,25,26)/b10-9+

>  <InChI Key>
FFXXDYJVLLGASF-MDZDMXLPSA-N

