
 CID 52945421

100104  0  0  0  0  0  0  0  0999 V2000
    1.3007    3.7026  -72.3288 C   0  0  0  0  0
    0.9983    4.8366  -71.5771 C   0  0  0  0  0
    1.9863    5.7867  -71.3169 C   0  0  0  0  0
    3.2858    5.6121  -71.8114 C   0  0  0  0  0
    3.5794    4.4659  -72.5644 C   0  0  0  0  0
    2.5904    3.5171  -72.8231 C   0  0  0  0  0
    4.3688    6.6098  -71.4869 C   0  0  0  0  0
    4.9957    7.0444  -72.6940 O   0  0  0  0  0
    6.1904    7.6931  -72.5353 C   0  0  0  0  0
    6.9920    7.7481  -73.6743 C   0  0  0  0  0
    8.2507    8.3411  -73.6171 C   0  0  0  0  0
    8.7058    8.8981  -72.4210 C   0  0  0  0  0
    7.8940    8.9013  -71.2757 C   0  0  0  0  0
    6.6347    8.2844  -71.3492 C   0  0  0  0  0
    8.3340    9.4892  -69.9481 C   0  0  0  0  0
    9.3724   10.5671  -70.0709 C   0  0  0  0  0
    9.1108   11.8870  -70.0661 C   0  0  0  0  0
   10.0913   12.9696  -70.3333 C   0  0  0  0  0
   11.4335   12.6399  -70.6266 C   0  0  0  0  0
   12.3962   13.6109  -70.9074 C   0  0  0  0  0
   12.0446   14.9482  -70.9040 C   0  0  0  0  0
   10.7304   15.3083  -70.6179 C   0  0  0  0  0
    9.7398   14.3414  -70.3375 C   0  0  0  0  0
    8.4179   14.9242  -70.0343 C   0  0  0  0  0
    7.2706   14.6290  -70.6637 C   0  0  0  0  0
    6.0191   15.3562  -70.3962 C   0  0  0  0  0
    4.9099   14.9591  -70.6927 O   0  0  0  0  0
    6.2121   16.5662  -69.8432 O   0  0  0  0  0
    4.2738   32.3704 -155.2923 C   0  0  0  0  0
    5.0840   31.8635 -154.2788 C   0  0  0  0  0
    6.1356   31.0009 -154.5917 C   0  0  0  0  0
    6.3793   30.6247 -155.9214 C   0  0  0  0  0
    5.5746   31.1615 -156.9354 C   0  0  0  0  0
    4.5234   32.0262 -156.6201 C   0  0  0  0  0
    7.4698   29.6282 -156.2371 C   0  0  0  0  0
    8.7209   30.2943 -156.4217 O   0  0  0  0  0
    9.7680   29.4722 -156.7582 C   0  0  0  0  0
   10.7649   30.0433 -157.5461 C   0  0  0  0  0
   11.8572   29.2761 -157.9585 C   0  0  0  0  0
   11.9644   27.9324 -157.5781 C   0  0  0  0  0
   10.9952   27.3512 -156.7571 C   0  0  0  0  0
    9.9021   28.1401 -156.3513 C   0  0  0  0  0
   10.9632   25.9201 -156.4039 C   0  0  0  0  0
   11.9418   25.0260 -156.1812 C   0  0  0  0  0
   13.4333   25.2048 -156.1510 C   0  0  0  0  0
   14.0956   24.3346 -155.0892 C   0  0  0  0  0
   14.2567   24.8955 -153.8041 C   0  0  0  0  0
   14.8345   24.1707 -152.7620 C   0  0  0  0  0
   15.2607   22.8688 -152.9810 C   0  0  0  0  0
   15.1022   22.2918 -154.2406 C   0  0  0  0  0
   14.5048   22.9964 -155.3062 C   0  0  0  0  0
   14.4089   22.3331 -156.6226 C   0  0  0  0  0
   14.1838   21.0187 -156.7860 C   0  0  0  0  0
   14.2135   20.4278 -158.1296 C   0  0  0  0  0
   14.2562   21.0093 -159.1941 O   0  0  0  0  0
   14.2378   19.0872 -158.0404 O   0  0  0  0  0
    0.5305    2.9631  -72.5299 H   0  0  0  0  0
   -0.0072    4.9814  -71.1913 H   0  0  0  0  0
    1.7348    6.6638  -70.7250 H   0  0  0  0  0
    4.5846    4.3120  -72.9524 H   0  0  0  0  0
    2.8276    2.6333  -73.4091 H   0  0  0  0  0
    5.0878    6.1130  -70.8219 H   0  0  0  0  0
    3.9369    7.4778  -70.9746 H   0  0  0  0  0
    6.6407    7.3117  -74.6057 H   0  0  0  0  0
    8.8800    8.3661  -74.5030 H   0  0  0  0  0
    9.6980    9.3422  -72.4065 H   0  0  0  0  0
    6.0112    8.2861  -70.4606 H   0  0  0  0  0
    8.7378    8.6790  -69.3278 H   0  0  0  0  0
    7.4582    9.8854  -69.4184 H   0  0  0  0  0
   10.3776   10.1835  -70.2054 H   0  0  0  0  0
    8.0816   12.1941  -69.9077 H   0  0  0  0  0
   11.7713   11.6085  -70.6498 H   0  0  0  0  0
   13.4172   13.3109  -71.1300 H   0  0  0  0  0
   12.7861   15.7107  -71.1233 H   0  0  0  0  0
   10.4749   16.3671  -70.6243 H   0  0  0  0  0
    8.4411   15.7276  -69.2988 H   0  0  0  0  0
    7.1937   13.8489  -71.4111 H   0  0  0  0  0
    5.3119   16.9483  -69.7906 H   0  0  0  0  0
    3.4500   33.0358 -155.0475 H   0  0  0  0  0
    4.8946   32.1348 -153.2435 H   0  0  0  0  0
    6.7581   30.6099 -153.7899 H   0  0  0  0  0
    5.7524   30.8987 -157.9757 H   0  0  0  0  0
    3.8942   32.4277 -157.4104 H   0  0  0  0  0
    7.2036   29.0671 -157.1426 H   0  0  0  0  0
    7.5190   28.9256 -155.3977 H   0  0  0  0  0
   10.6799   31.0808 -157.8615 H   0  0  0  0  0
   12.6162   29.7208 -158.5980 H   0  0  0  0  0
   12.7992   27.3485 -157.9547 H   0  0  0  0  0
    9.1597   27.6862 -155.7037 H   0  0  0  0  0
    9.9462   25.5302 -156.3278 H   0  0  0  0  0
   11.6108   24.0093 -155.9633 H   0  0  0  0  0
   13.6996   26.2509 -155.9584 H   0  0  0  0  0
   13.8465   24.9732 -157.1374 H   0  0  0  0  0
   13.9276   25.9153 -153.6109 H   0  0  0  0  0
   14.9558   24.6254 -151.7826 H   0  0  0  0  0
   15.7222   22.3003 -152.1778 H   0  0  0  0  0
   15.4705   21.2772 -154.3799 H   0  0  0  0  0
   14.5761   22.9587 -157.4956 H   0  0  0  0  0
   14.0141   20.3365 -155.9626 H   0  0  0  0  0
   14.3085   18.7917 -158.9719 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 57  1  0  0  0
  2  3  1  0  0  0
  2 58  1  0  0  0
  3  4  2  0  0  0
  3 59  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 60  1  0  0  0
  6 61  1  0  0  0
  7  8  1  0  0  0
  7 62  1  0  0  0
  7 63  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 64  1  0  0  0
 11 12  2  0  0  0
 11 65  1  0  0  0
 12 13  1  0  0  0
 12 66  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 67  1  0  0  0
 15 16  1  0  0  0
 15 68  1  0  0  0
 15 69  1  0  0  0
 16 17  2  0  0  0
 16 70  1  0  0  0
 17 18  1  0  0  0
 17 71  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 72  1  0  0  0
 20 21  2  0  0  0
 20 73  1  0  0  0
 21 22  1  0  0  0
 21 74  1  0  0  0
 22 23  2  0  0  0
 22 75  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 76  1  0  0  0
 25 26  1  0  0  0
 25 77  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 78  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 29 79  1  0  0  0
 30 31  1  0  0  0
 30 80  1  0  0  0
 31 32  2  0  0  0
 31 81  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 82  1  0  0  0
 34 83  1  0  0  0
 35 36  1  0  0  0
 35 84  1  0  0  0
 35 85  1  0  0  0
 36 37  1  0  0  0
 37 38  2  0  0  0
 37 42  1  0  0  0
 38 39  1  0  0  0
 38 86  1  0  0  0
 39 40  2  0  0  0
 39 87  1  0  0  0
 40 41  1  0  0  0
 40 88  1  0  0  0
 41 42  2  0  0  0
 41 43  1  0  0  0
 42 89  1  0  0  0
 43 44  2  0  0  0
 43 90  1  0  0  0
 44 45  1  0  0  0
 44 91  1  0  0  0
 45 46  1  0  0  0
 45 92  1  0  0  0
 45 93  1  0  0  0
 46 47  2  0  0  0
 46 51  1  0  0  0
 47 48  1  0  0  0
 47 94  1  0  0  0
 48 49  2  0  0  0
 48 95  1  0  0  0
 49 50  1  0  0  0
 49 96  1  0  0  0
 50 51  2  0  0  0
 50 97  1  0  0  0
 51 52  1  0  0  0
 52 53  2  0  0  0
 52 98  1  0  0  0
 53 54  1  0  0  0
 53 99  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56100  1  0  0  0
M  END

>  <Chemical Name>
CID 52945421

>  <PubChem CID>
52945421

>  <Formula>
C50H44O6

>  <Molecular Weight>
740.896000

>  <IUPAC Name>
(E)-3-[2-[(E)-3-(3-phenylmethoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid;(E)-3-[2-[(Z)-3-(3-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC=CC(=C2)CC=CC3=CC=CC=C3C=CC(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CCC3=CC=CC=C3C=CC(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC=CC(=C2)C/C=C/C3=CC=CC=C3/C=C/C(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C\CC3=CC=CC=C3/C=C/C(=O)O

>  <InChI Std. ID>
InChI=1S/2C25H22O3/c2*26-25(27)17-16-23-13-5-4-12-22(23)14-6-10-20-11-7-15-24(18-20)28-19-21-8-2-1-3-9-21/h1-9,11-18H,10,19H2,(H,26,27);1-13,15-18H,14,19H2,(H,26,27)/b14-6+,17-16+;10-6-,17-16+

>  <InChI Key>
BMKBEFZPRCHQJC-LTZCYPJDSA-N

