
 acrylic acid derivative, 16

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.0852   -0.7913    2.7088 C   0  0  0  0  0
    1.6823    0.4271    2.3893 C   0  0  0  0  0
    2.9011    0.4521    1.7059 C   0  0  0  0  0
    3.5194   -0.7391    1.3228 C   0  0  0  0  0
    2.9294   -1.9584    1.6703 C   0  0  0  0  0
    1.7123   -1.9835    2.3558 C   0  0  0  0  0
    4.7066   -0.6097    0.6435 O   0  0  0  0  0
    4.9353   -1.6419   -0.3132 C   0  0  0  0  0
    6.1941   -1.3857   -1.1078 C   0  0  0  0  0
    7.4306   -1.8489   -0.6307 C   0  0  0  0  0
    8.5813   -1.7965   -1.4301 C   0  0  0  0  0
    8.4928   -1.2794   -2.7387 C   0  0  0  0  0
    7.2788   -0.7124   -3.1634 C   0  0  0  0  0
    6.1396   -0.7648   -2.3570 C   0  0  0  0  0
    9.6498   -1.3346   -3.6558 C   0  0  0  0  0
    9.5303   -1.6585   -4.9545 C   0  0  0  0  0
   10.6563   -1.8031   -5.8854 C   0  0  0  0  0
   10.5388   -2.1020   -7.0627 O   0  0  0  0  0
   11.8564   -1.5875   -5.3312 O   0  0  0  0  0
    9.8030   -2.2902   -1.0377 O   0  0  0  0  0
    9.9861   -2.5282    0.3607 C   0  0  0  0  0
   11.4574   -2.8509    0.6375 C   0  0  0  0  0
   12.3880   -1.6717    0.4675 C   0  0  0  0  0
   13.4223   -1.7204   -0.4789 C   0  0  0  0  0
   14.3126   -0.6456   -0.6442 C   0  0  0  0  0
   15.3525   -0.6944   -1.5867 C   0  0  0  0  0
   16.2270    0.3823   -1.7416 C   0  0  0  0  0
   16.0718    1.5222   -0.9585 C   0  0  0  0  0
   15.0447    1.5858   -0.0156 C   0  0  0  0  0
   14.1595    0.5089    0.1549 C   0  0  0  0  0
   13.1275    0.5523    1.1036 C   0  0  0  0  0
   12.2566   -0.5283    1.2634 C   0  0  0  0  0
    0.1366   -0.8127    3.2390 H   0  0  0  0  0
    1.1984    1.3585    2.6714 H   0  0  0  0  0
    3.3613    1.4053    1.4590 H   0  0  0  0  0
    3.3965   -2.9090    1.4379 H   0  0  0  0  0
    1.2581   -2.9359    2.6178 H   0  0  0  0  0
    4.0826   -1.7181   -1.0012 H   0  0  0  0  0
    5.0606   -2.6116    0.1831 H   0  0  0  0  0
    7.4555   -2.2980    0.3574 H   0  0  0  0  0
    7.1993   -0.2471   -4.1435 H   0  0  0  0  0
    5.2027   -0.3574   -2.7310 H   0  0  0  0  0
   10.6258   -1.1688   -3.2042 H   0  0  0  0  0
    8.5669   -1.8690   -5.4055 H   0  0  0  0  0
   12.4846   -1.7289   -6.0681 H   0  0  0  0  0
    9.3916   -3.4030    0.6505 H   0  0  0  0  0
    9.6656   -1.6598    0.9486 H   0  0  0  0  0
   11.7734   -3.6668   -0.0245 H   0  0  0  0  0
   11.5634   -3.2178    1.6660 H   0  0  0  0  0
   13.5357   -2.6075   -1.0995 H   0  0  0  0  0
   15.4878   -1.5764   -2.2084 H   0  0  0  0  0
   17.0274    0.3300   -2.4747 H   0  0  0  0  0
   16.7496    2.3629   -1.0800 H   0  0  0  0  0
   14.9388    2.4845    0.5877 H   0  0  0  0  0
   12.9944    1.4312    1.7303 H   0  0  0  0  0
   11.4748   -0.4639    2.0163 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 36  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 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
 23 32  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  2  0  0  0
 27 52  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 29 30  2  0  0  0
 29 54  1  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
acrylic acid derivative, 16

>  <PubChem CID>
10273914

>  <Formula>
C28H24O4

>  <Molecular Weight>
424.496000

>  <IUPAC Name>
(E)-3-[2-(2-naphthalen-2-ylethoxy)-4-(phenoxymethyl)phenyl]prop-2-enoic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC2=CC(=C(C=C2)C=CC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC2=CC(=C(C=C2)/C=C/C(=O)O)OCCC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C28H24O4/c29-28(30)15-14-24-13-11-22(20-32-26-8-2-1-3-9-26)19-27(24)31-17-16-21-10-12-23-6-4-5-7-25(23)18-21/h1-15,18-19H,16-17,20H2,(H,29,30)/b15-14+

>  <InChI Key>
HHJYFJGRTMWIMW-CCEZHUSRSA-N

