Molecule FYI-1014492

A

Molecule Summary:

ID: FYI-1014492
Names:
InChIKey: USTZDWIBEMKHEZ-NXRKLTDKSA-N
SMILES: Cc1ccccc1c6cc(=C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=c4cc(c3ccccc3C)ss4)C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)ss6

Received at FYIcenter.com on: 2025-04-22

Molecule ID: FYI-1014492 Edit

Molecule Structure InChIKey: USTZDWIBEMKHEZ-NXRKLTDKSA-N

Molecule Structure SMILES String: Cc1ccccc1c6cc(=C(SSC(C(=O)c2ccc(OCC(=O)O)c(Cl)c2Cl)=c4cc(c3ccccc3C)ss4)C(=O)c5ccc(OCC(=O)O)c(Cl)c5Cl)ss6

Download SDF Download SVG Structure in 2D SDF:

FYI-1014492
FYIcenter.com

 58 63  0  0  0  0  0  0  0  0999 V2000
   15.7617    5.6986    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2569   10.0215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8243   11.3529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4243   11.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   10.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6014   12.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1709   13.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3480   14.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9557   14.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3862   13.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2091   12.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5632   13.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7986    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3544    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    3.5442    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    4.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0099    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4405    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6557    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4023    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0482    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1986    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7986    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    9.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114   11.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    9.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0986    0.0000 Cl  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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 34 21  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 41  1  0  0  0  0
 48 47  2  0  0  0  0
 48 36  1  0  0  0  0
 49  3  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 57 51  2  0  0  0  0
 57  2  1  0  0  0  0
 58 57  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014492-3D
FYIcenter.com

 84 89  0  0  0  0  0  0  0  0999 V2000
    6.1978   -2.1120   -2.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1824   -1.0246   -2.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5870    0.1717   -3.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6652    1.1866   -3.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    1.0155   -3.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9062   -0.1641   -2.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8278   -1.1839   -2.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3550   -2.3732   -1.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045   -2.5493   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0613   -3.8091    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3383   -4.2957    1.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -3.5187    3.0143 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7051   -1.5181    3.1135 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7090   -0.8371    4.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.4511    5.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8973    1.3863    5.3279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027    0.7667    5.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    2.0729    4.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0149    2.5550    5.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    1.7350    5.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1866    2.1629    5.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8149    3.1361    5.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    4.5490    5.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    5.5582    5.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5064    4.5818    7.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4571    0.4325    6.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7322   -0.5653    6.8303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7728   -0.0491    5.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2593   -1.5869    6.4643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0396   -1.0338    4.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7937   -0.4845    5.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0874   -0.1782    5.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8254    0.8409    6.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665    0.5802    7.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9580    1.5579    8.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226    2.8066    7.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7789    3.0929    6.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0694    2.1350    5.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5876    2.5522    4.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268   -0.7912    4.1331 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305   -1.7163    3.4311 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -5.7328    2.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -6.0976    1.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062   -6.7352    2.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997   -6.6212    2.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   -7.5265    3.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442   -8.5995    3.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266   -9.5448    4.6148 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5145   -9.0792    5.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7285   -9.3256    4.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510   -8.6590    4.4236 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5676  -10.3680    3.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524   -8.7924    4.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449  -10.1963    4.8617 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2765   -7.8627    3.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5682   -8.1891    3.5094 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0731   -4.6901   -0.7263 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6765   -3.6488   -2.3721 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949   -1.8087   -2.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9261   -3.0131   -2.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2710   -2.3518   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6275    0.3210   -3.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9963    2.1097   -3.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6051    1.8005   -3.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8544   -0.2863   -2.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9839   -1.7792    0.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    2.7560    4.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    3.5869    4.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8869    2.9102    5.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497    3.1009    4.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    3.6788    7.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2679   -0.1888    6.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0843   -0.3837    8.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2996    1.3448    9.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7659    3.5620    8.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9832    4.0767    6.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7963    3.6102    4.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5056    2.4163    4.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1032    1.9909    3.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6642   -5.8351    2.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1329   -7.3694    3.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6545   -9.6788    6.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519   -8.0289    5.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6767  -10.7680    3.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  1 61  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 62  1  0  0  0  0
  4  5  1  0  0  0  0
  4 63  1  0  0  0  0
  5  6  2  0  0  0  0
  5 64  1  0  0  0  0
  6  7  1  0  0  0  0
  6 65  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 58  1  0  0  0  0
  9 10  1  0  0  0  0
  9 66  1  0  0  0  0
 10 11  2  3  0  0  0
 10 57  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  2  3  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  2  0  0  0  0
 18 19  2  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 69  1  0  0  0  0
 22 70  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 41  1  0  0  0  0
 31 32  2  0  0  0  0
 31 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 40  1  0  0  0  0
 33 34  1  0  0  0  0
 33 38  2  0  0  0  0
 34 35  2  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 35 74  1  0  0  0  0
 36 37  2  0  0  0  0
 36 75  1  0  0  0  0
 37 38  1  0  0  0  0
 37 76  1  0  0  0  0
 38 39  1  0  0  0  0
 39 77  1  0  0  0  0
 39 78  1  0  0  0  0
 39 79  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 55  2  0  0  0  0
 45 46  2  0  0  0  0
 45 80  1  0  0  0  0
 46 47  1  0  0  0  0
 46 81  1  0  0  0  0
 47 48  1  0  0  0  0
 47 53  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 82  1  0  0  0  0
 49 83  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 84  1  0  0  0  0
 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 57 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 2037👍, 0💬