
 acrylic acid derivative, 17

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.3360   -6.1126    1.0751 C   0  0  0  0  0
    1.5390   -5.2400    0.0084 C   0  0  0  0  0
    2.5110   -4.2417    0.0952 C   0  0  0  0  0
    3.3082   -4.1190    1.2420 C   0  0  0  0  0
    3.0808   -4.9944    2.3161 C   0  0  0  0  0
    2.1011   -5.9854    2.2320 C   0  0  0  0  0
    4.4044   -3.0797    1.3616 C   0  0  0  0  0
    4.6900   -2.3636    0.1522 O   0  0  0  0  0
    5.6535   -2.8913   -0.6665 C   0  0  0  0  0
    6.3426   -1.9680   -1.4596 C   0  0  0  0  0
    7.3427   -2.3896   -2.3451 C   0  0  0  0  0
    7.6216   -3.7677   -2.4762 C   0  0  0  0  0
    6.9155   -4.6813   -1.6795 C   0  0  0  0  0
    5.9391   -4.2481   -0.7831 C   0  0  0  0  0
    8.6778   -4.2489   -3.3881 C   0  0  0  0  0
    8.6177   -5.4094   -4.0618 C   0  0  0  0  0
    9.7297   -5.8116   -4.9269 C   0  0  0  0  0
   10.7202   -5.1669   -5.2131 O   0  0  0  0  0
    9.5322   -7.0587   -5.3822 O   0  0  0  0  0
    8.1099   -1.5430   -3.1039 O   0  0  0  0  0
    7.7668   -0.1563   -3.1454 C   0  0  0  0  0
    8.8071    0.5990   -3.9846 C   0  0  0  0  0
    8.6935    0.3740   -5.4764 C   0  0  0  0  0
    8.9358   -0.8920   -6.0299 C   0  0  0  0  0
    8.8563   -1.1158   -7.4137 C   0  0  0  0  0
    9.0868   -2.3887   -7.9595 C   0  0  0  0  0
    9.0078   -2.5982   -9.3367 C   0  0  0  0  0
    8.7033   -1.5372  -10.1847 C   0  0  0  0  0
    8.4733   -0.2652   -9.6566 C   0  0  0  0  0
    8.5430   -0.0395   -8.2716 C   0  0  0  0  0
    8.3132    1.2297   -7.7182 C   0  0  0  0  0
    8.3859    1.4337   -6.3366 C   0  0  0  0  0
    0.5796   -6.8897    1.0048 H   0  0  0  0  0
    0.9431   -5.3368   -0.8955 H   0  0  0  0  0
    2.6537   -3.5723   -0.7509 H   0  0  0  0  0
    3.6727   -4.9133    3.2256 H   0  0  0  0  0
    1.9374   -6.6606    3.0679 H   0  0  0  0  0
    5.3204   -3.5247    1.7735 H   0  0  0  0  0
    4.0686   -2.3291    2.0871 H   0  0  0  0  0
    6.0881   -0.9199   -1.3462 H   0  0  0  0  0
    7.1203   -5.7475   -1.7368 H   0  0  0  0  0
    5.4092   -4.9997   -0.2073 H   0  0  0  0  0
    9.5374   -3.5915   -3.5039 H   0  0  0  0  0
    7.7774   -6.0880   -4.0008 H   0  0  0  0  0
   10.3309   -7.2387   -5.9205 H   0  0  0  0  0
    7.8049    0.2556   -2.1299 H   0  0  0  0  0
    6.7615   -0.0248   -3.5634 H   0  0  0  0  0
    9.8205    0.3141   -3.6750 H   0  0  0  0  0
    8.7024    1.6712   -3.7767 H   0  0  0  0  0
    9.1993   -1.7205   -5.3754 H   0  0  0  0  0
    9.3321   -3.2268   -7.3099 H   0  0  0  0  0
    9.1873   -3.5891   -9.7446 H   0  0  0  0  0
    8.6457   -1.6982  -11.2578 H   0  0  0  0  0
    8.2395    0.5518  -10.3350 H   0  0  0  0  0
    8.0786    2.0738   -8.3626 H   0  0  0  0  0
    8.2088    2.4321   -5.9437 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
  7 38  1  0  0  0
  7 39  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 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, 17

>  <PubChem CID>
23016719

>  <Formula>
C28H24O4

>  <Molecular Weight>
424.496000

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

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC(=C(C=C2)C=CC(=O)O)OCCC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC(=C(C=C2)/C=C/C(=O)O)OCCC3=CC4=CC=CC=C4C=C3

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

>  <InChI Key>
IXFAJVJBLAGTDS-FYWRMAATSA-N

