Molecule FYI-1015719

A

Molecule Summary:

ID: FYI-1015719
Names:
InChIKey: ZPIMPPJEDUQYEW-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc2ccc(Oc1ccc(S(=O)(=O)O)cc1)cc2S(=O)(=O)O

Received at FYIcenter.com on: 2025-09-30

Molecule ID: FYI-1015719 Edit

Molecule Structure InChIKey: ZPIMPPJEDUQYEW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCc2ccc(Oc1ccc(S(=O)(=O)O)cc1)cc2S(=O)(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015719
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
   19.5866    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3742    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1618    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   11.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  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  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 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  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
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  2  0  0  0  0
 29 26  1  0  0  0  0
 30 14  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  2  0  0  0  0
 33 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015719-3D
FYIcenter.com

 67 68  0     0  0  0  0  0  0999 V2000
    0.4961    0.2336   -1.9070 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2137   -1.6013   -0.7149 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686   -0.0162    2.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0317    1.3513   -2.9715 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.9893   -2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570    0.2392   -1.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6591   -2.2507   -2.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9392   -0.3902   -1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8610   -2.6567    0.0487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1446    1.5409   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5790    1.2812    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6277    2.9723   -0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0739   -0.1353   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2184    3.2484   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5355   -0.3591    0.2819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288    2.4222    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0220   -1.7836   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7287    2.7049   -0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4983   -2.0020    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672    1.9633    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9734   -3.4319    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9733    0.8367   -0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7702    2.4248    1.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4397   -3.6035    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821    0.1716    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787    1.7596    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    0.6330    1.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017   -0.3870    1.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1054    0.5158    0.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0396   -1.6634    1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7849   -1.1339    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2470    0.1424    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1811   -2.0368    1.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4868    0.8423    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0736    1.2883   -1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6420    1.4679    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2467    2.0038   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6606    3.2210    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3206    3.6615   -0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9667   -0.3351   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4365   -0.8585    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9976    4.3150   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1984    3.0479   -1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6520   -0.1451    1.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1710    0.3542   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447    1.3538   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1511    2.6402    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8654   -2.0128   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4093   -2.4923    0.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245    3.7781   -0.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    2.5910   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6593   -1.7535    1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1098   -1.3045   -0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8319   -3.6841   -0.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3703   -4.1353    0.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3074    3.3014    1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0725   -2.9340   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7602   -4.6321    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6075   -3.3884    1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411   -0.7196   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885    2.1237    3.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3899    2.0538   -3.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194    1.5230    0.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5719   -2.3711    2.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6990    0.8609   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5769   -3.0388    1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414   -1.6390   -2.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 31  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4 62  1  0  0  0  0
  7 67  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 19  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 21  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 27  2  0  0  0  0
 25 60  1  0  0  0  0
 26 27  1  0  0  0  0
 26 61  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 29 63  1  0  0  0  0
 30 33  2  0  0  0  0
 30 64  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 4241👍, 0💬