Molecule FYI-1014198

A

Molecule Summary:

ID: FYI-1014198
Names:
InChIKey: DZJYJGJJWWGSEY-UHFFFAOYSA-N
SMILES: CC(C)(c1ccc(OCC(O)COCCO)cc1)c2ccc(OCC(O)COCCO)cc2

Received at FYIcenter.com on: 2025-03-11

Molecule ID: FYI-1014198 Edit

Molecule Structure InChIKey: DZJYJGJJWWGSEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(c1ccc(OCC(O)COCCO)cc1)c2ccc(OCC(O)COCCO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014198
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
   14.0368    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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  1  0  0  0  0
 15 12  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  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  1  0  0  0  0
 27 24  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 14 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014198-3D
FYIcenter.com

 69 70  0  0  1  0  0  0  0  0999 V2000
    0.8670   -0.0478   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196   -0.0113   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8348    1.4049    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -1.1341    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5788   -2.4761    0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618   -3.5200    1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066   -3.2430    2.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698   -4.1546    3.3026 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2069   -5.5386    3.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9131   -6.3628    4.1295 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3272   -6.1344    4.0672 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086   -6.0212    5.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0029   -6.2602    5.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -5.8894    6.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9841   -6.1265    6.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080   -7.4987    6.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486   -1.9213    2.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7680   -0.8792    1.9275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731   -0.1497   -1.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2851    0.3891   -2.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8235    0.3510   -3.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0687   -0.2263   -4.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7113   -0.2965   -5.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344    0.2871   -6.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8914    0.0762   -7.7527 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1455    0.7539   -7.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1459   -1.4071   -8.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059   -2.0989   -8.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -3.5016   -8.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7665   -4.1917   -8.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -3.6566   -9.6048 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624   -0.7774   -3.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300   -0.7303   -1.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004   -0.0225    0.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -0.9473   -0.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    0.8139   -0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4614    1.6147    1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    2.1855   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    1.5295    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387   -2.7301   -0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7607   -4.5314    1.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227   -5.8032    2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1290   -5.7379    3.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7381   -7.4253    3.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4446   -5.1668    4.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6305   -4.9742    5.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343   -6.6406    6.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017   -4.8325    7.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705   -6.5132    7.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973   -5.5306    6.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481   -5.8721    7.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2332   -7.7104    5.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9046   -1.6920    3.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0845    0.1275    2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240    0.8794   -2.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2422    0.7974   -4.7419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218    1.3643   -6.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0524   -0.1790   -6.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3705    0.5261   -8.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4771    0.5263   -6.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7241   -1.8570   -7.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7468   -1.5044   -8.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6843   -3.9161   -7.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893   -3.6379   -9.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760   -4.0322   -7.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8911   -5.2662   -8.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330   -2.6894   -9.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7350   -1.2360   -3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258   -1.1490   -0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 15 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 18  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  2  0  0  0  0
 20 21  2  0  0  0  0
 20 55  1  0  0  0  0
 21 22  1  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 22 32  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 30 31  1  0  0  0  0
 30 65  1  0  0  0  0
 30 66  1  0  0  0  0
 31 67  1  0  0  0  0
 32 33  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 251👍, 0💬