Molecule FYI-1002192

A

Molecule Summary:

ID: FYI-1002192
Names:
InChIKey: ROHBKOGKJWCEEJ-UHFFFAOYSA-N
SMILES: O=C2c1ccccc1C(=O)C26C(c3ccc(Cl)cc3Cl)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002192 Edit

Molecule Structure InChIKey: ROHBKOGKJWCEEJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C26C(c3ccc(Cl)cc3Cl)C(N(=O)=O)C(c4ccccc4)C5CCCCC56O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002192
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    3.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    6.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    2.8853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5283   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9012    7.7830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
  8 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 21  2  0  0  0  0
 11 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 25 30  1  0  0  0  0
 25 26  2  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 17 33  2  0  0  0  0
 20 34  2  0  0  0  0
  3 35  1  0  0  0  0
  1 36  1  0  0  0  0
 12 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002192-3D
FYIcenter.com

 63 68  0  0  1  0  0  0  0  0999 V2000
    1.0593    0.5999    0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    0.4013    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2158    1.4167   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    2.7723   -0.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0444    3.5768   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3113    3.0057   -0.8083 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    1.6303   -0.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4565    0.8564   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3947   -0.5872    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3361   -1.3530   -0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9630   -0.9419    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931   -1.9647   -0.5583 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1170   -1.6980   -2.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4753   -0.5471   -2.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0574   -0.4485   -3.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2908   -1.4891   -4.8121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -1.4010   -6.4217 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9768   -2.6149   -4.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -2.7220   -3.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -4.2162   -2.6381 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1093   -2.8214    0.0009 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2842   -2.1481   -0.1566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -1.9163   -1.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980   -2.0052    0.8436 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -3.2308    1.4764 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3039   -4.4167    1.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877   -4.4938    1.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4264   -5.6019    1.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9841   -6.6946    1.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7161   -6.6722    2.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8885   -5.5512    2.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476   -1.9285    2.3190 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0695   -1.9949    3.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0887   -2.3971    4.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5595   -2.1740    4.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -2.0151    2.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9033   -1.2538    2.0897 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8893    0.0462    2.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9872    3.1851    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987    4.6499   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1225    3.6559   -1.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5016    1.1954   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116   -2.6644   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480    0.2618   -1.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850    0.4199   -4.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548   -3.4312   -5.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9766   -3.7270   -0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3669   -3.6495    1.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0698   -3.6683    0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4268   -5.5861    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347   -7.5603    2.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3659   -7.5321    3.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9065   -5.5795    2.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8338   -1.1938    1.9409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7003   -0.9933    4.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1815   -2.6358    3.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187   -3.4458    5.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8605   -1.8372    5.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1216   -3.0139    4.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9074   -1.2921    4.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995   -3.0078    2.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9246   -1.4913    2.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795    0.2443    3.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 32  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 29  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 32 54  1  0  0  0  0
 33 34  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 34 35  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 36  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
 36 37  1  0  0  0  0
 36 61  1  0  0  0  0
 36 62  1  0  0  0  0
 37 38  1  0  0  0  0
 38 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 905👍, 0💬