
 AC1MDXZY

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.4615    3.9722   -1.6706 C   0  0  0  0  0
    2.7426    3.7937   -0.3728 C   0  0  0  0  0
    3.0545    2.4657    0.2433 C   0  0  0  0  0
    4.4580    2.4254    0.5207 O   0  0  0  0  0
    5.2088    1.6824   -0.3416 C   0  0  0  0  0
    4.7705    1.0404   -1.2846 O   0  0  0  0  0
    6.6771    1.8040    0.0218 C   0  0  0  0  0
    7.3990    0.4595   -0.1548 C   0  0  0  0  0
    7.9557    0.2258   -1.5269 C   0  0  0  0  0
    8.0256    1.1747   -2.4694 C   0  0  0  0  0
    7.5900    2.5930   -2.2508 C   0  0  0  0  0
    7.3005    2.9507   -0.7852 C   0  0  0  0  0
    8.5149    3.4765   -0.0390 C   0  0  0  0  0
    8.4407    4.3384    0.8299 O   0  0  0  0  0
    9.6631    2.7889   -0.4024 O   0  0  0  0  0
   10.8332    3.1525    0.2720 C   0  0  0  0  0
   11.8932    3.6612   -0.4775 C   0  0  0  0  0
   13.1021    3.9680    0.1322 C   0  0  0  0  0
   13.2370    3.7507    1.4984 C   0  0  0  0  0
   12.1893    3.2291    2.2574 C   0  0  0  0  0
   10.9773    2.9168    1.6409 C   0  0  0  0  0
   14.3996    4.0384    2.0977 F   0  0  0  0  0
   11.7548    3.8524   -1.7971 F   0  0  0  0  0
    2.2412    4.9605   -2.0628 H   0  0  0  0  0
    2.4652    3.1416   -2.3718 H   0  0  0  0  0
    2.7452    4.6521    0.2946 H   0  0  0  0  0
    2.7161    1.6280   -0.3774 H   0  0  0  0  0
    2.5259    2.3785    1.1988 H   0  0  0  0  0
    6.7126    2.0345    1.0964 H   0  0  0  0  0
    6.7242   -0.3672    0.0991 H   0  0  0  0  0
    8.2360    0.4069    0.5526 H   0  0  0  0  0
    8.3023   -0.7796   -1.7561 H   0  0  0  0  0
    8.4154    0.9227   -3.4534 H   0  0  0  0  0
    8.3517    3.2667   -2.6620 H   0  0  0  0  0
    6.6814    2.7519   -2.8454 H   0  0  0  0  0
    6.6075    3.8051   -0.8126 H   0  0  0  0  0
   13.9274    4.3643   -0.4470 H   0  0  0  0  0
   12.3268    3.0683    3.3217 H   0  0  0  0  0
   10.1595    2.5032    2.2238 H   0  0  0  0  0
  1  2  2  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
M  END

>  <Chemical Name>
AC1MDXZY

>  <PubChem CID>
2844839

>  <Formula>
C17H16F2O4

>  <Molecular Weight>
322.308000

>  <IUPAC Name>
2-O-(2,4-difluorophenyl) 1-O-prop-2-enyl cyclohex-4-ene-1,2-dicarboxylate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C=CCOC(=O)C1CC=CCC1C(=O)OC2=C(C=C(C=C2)F)F

>  <Isomeric SMILES>
C=CCOC(=O)C1CC=CCC1C(=O)OC2=C(C=C(C=C2)F)F

>  <InChI Std. ID>
InChI=1S/C17H16F2O4/c1-2-9-22-16(20)12-5-3-4-6-13(12)17(21)23-15-8-7-11(18)10-14(15)19/h2-4,7-8,10,12-13H,1,5-6,9H2

>  <InChI Key>
ABKPCJYZQKKXBD-UHFFFAOYSA-N

