Molecule FYI-1001511

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A

Molecule Summary:

ID: FYI-1001511
SMILES: CC1=CC=CC=C1N\\N=C1/CC(OC2=C1C(O)=CC(O)=C2)C1=CC=C(O)C=C1

Received at FYIcenter.com on: 2022-08-18

Molecule ID: FYI-1001511 Edit

Molecule Structure SMILES String: CC1=CC=CC=C1NN=C1/CC(OC2=C1C(O)=CC(O)=C2)C1=CC=C(O)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001511
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   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
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001511-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
   -1.6906   -1.4776   -1.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7328   -2.2800   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979   -2.3140    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1575   -2.9681    1.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0579   -3.5813    1.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993   -3.5679    1.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6042   -2.9645    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6949   -2.8938   -0.4861 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8344   -3.6184   -0.0546 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726   -2.9824   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -1.5474   -0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544   -0.8861    0.5394 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9763   -1.0906    0.5407 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141   -2.4219    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3774   -3.4560    0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734   -4.7666   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881   -5.8527   -0.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2661   -5.0041    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -3.9519    0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117   -4.1245    0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6870   -2.6634    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2142    0.5621    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0791    1.1653    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6161    2.3860    0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907    3.0098    1.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8076    4.1533    2.3245 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500    2.4642    2.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9095    1.2430    1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432   -0.9563   -1.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280   -2.1295   -2.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234   -0.7000   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601   -1.8159   -0.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319   -2.9846    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809   -4.0734    2.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385   -4.0460    1.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881   -2.8393   -1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756   -1.1866   -1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7404   -1.4858   -1.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1524   -1.3894    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1604   -5.5638   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390   -6.0187   -0.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7307   -5.0519    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826   -1.8409    0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    0.6730   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111    2.8094    0.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099    4.2964    1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9631    2.9555    3.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7774    0.7844    2.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  3  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1629👍, 0💬