Molecule FYI-1006122

A

Molecule Summary:

ID: FYI-1006122
Names:
InChIKey: DOUMFZQKYFQNTF-ZZXKWVIFSA-N
SMILES: O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc2ccc(O)c(O)c2)C(=O)O

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006122 Edit

Molecule Structure InChIKey: DOUMFZQKYFQNTF-ZZXKWVIFSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc2ccc(O)c(O)c2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006122
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.1242    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24  9  2  0  0  0  0
 25  3  1  0  0  0  0
 26  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006122-3D
FYIcenter.com

 42 43  0     1  0  0  0  0  0999 V2000
   -0.9533   -1.0742   -0.3217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5489   -4.1160    0.4107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3453    3.5948   -0.6779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5458    3.4703    1.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0892   -3.6571   -1.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1826   -2.3983    1.1927 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3054   -0.2762    0.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0544    2.2497   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2536   -1.2746   -1.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549   -1.8161   -0.0864 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8643   -0.0030   -0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169    1.2182   -0.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9609   -0.0811    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625   -3.2696   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8813    2.3929   -0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5251    1.0935    0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9855    2.3304    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331   -1.4806    0.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6714   -0.0059    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -0.6028    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4838   -0.7930    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9362   -0.5196    0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    1.2625   -0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754    0.2350    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.0173   -0.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9495    1.5036   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0488   -2.0214   -1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571   -1.0881   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4249   -1.7175    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4560    1.2630   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3866   -1.0398    0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3847    1.0303    1.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0688    0.1654   -0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222   -1.5993    1.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0476   -1.5081    1.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5815    1.7114   -0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    3.0059   -1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -5.0555    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    3.4436   -1.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2981    3.2333    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9765    0.3794    0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7748    3.0967   -0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 18  1  0  0  0  0
  2 14  1  0  0  0  0
  2 38  1  0  0  0  0
  3 15  1  0  0  0  0
  3 39  1  0  0  0  0
  4 17  1  0  0  0  0
  4 40  1  0  0  0  0
  5 14  2  0  0  0  0
  6 18  2  0  0  0  0
  7 24  1  0  0  0  0
  7 41  1  0  0  0  0
  8 26  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 24  1  0  0  0  0
 22 35  1  0  0  0  0
 23 25  2  0  0  0  0
 23 36  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 2128👍, 0💬