Molecule FYI-1014777

A

Molecule Summary:

ID: FYI-1014777
Names:
InChIKey: UEFNZITZGVWLFK-VOTSOKGWSA-N
SMILES: CCCC/C=C/CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Received at FYIcenter.com on: 2025-05-22

Molecule ID: FYI-1014777 Edit

Molecule Structure InChIKey: UEFNZITZGVWLFK-VOTSOKGWSA-N

Molecule Structure SMILES String: CCCC/C=C/CCCCCCCCCCCCCc1c(O)c(=O)c(C)c(O)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014777
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  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
 15 16  1  0  0  0  0
 16 17  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014777-3D
FYIcenter.com

 72 72  0  0  0  0  0  0  0  0999 V2000
    1.4052    0.4325   -0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9237    0.4215   -0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617   -0.9695   -1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -0.9732   -1.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5040   -2.3448   -1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2572   -3.0542   -0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7687   -4.4226   -0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2911   -4.4214   -0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8144   -5.8113   -1.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3341   -5.8154   -1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8501   -7.2065   -1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3684   -7.2130   -1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8755   -8.6062   -1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3934   -8.6257   -1.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8870  -10.0256   -2.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4047  -10.0578   -2.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9100  -11.4594   -2.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4316  -11.4763   -2.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9762  -12.8466   -2.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4823  -12.8327   -2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2360  -12.5266   -4.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7308  -12.1166   -5.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7126  -12.5739   -3.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3709  -12.0798   -4.8843 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3376  -13.2652   -2.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7905  -13.6150   -2.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6031  -13.5465   -1.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1378  -14.1690   -0.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1514  -13.2025   -1.6925 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5181  -13.2487   -0.6438 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0355    1.4358   -0.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -0.2581   -0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064    0.1369   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949    0.7468    0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2877    1.1418   -1.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0804   -1.2966   -2.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936   -1.6881   -0.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3681   -0.6210   -0.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621   -0.2801   -1.9556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2435   -2.7668   -2.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263   -2.6387    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3914   -4.7723   -1.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -5.1219   -0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6774   -4.1006    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6629   -3.7038   -1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4388   -6.1308   -2.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   -6.5316   -0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7133   -5.4980   -0.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7072   -5.0972   -2.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4729   -7.5239   -2.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4762   -7.9256   -0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7467   -6.8967   -0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7436   -6.4958   -2.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4947   -8.9218   -2.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4979   -9.3219   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7753   -8.3118   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7737   -7.9111   -2.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5064  -10.3352   -3.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4984  -10.7371   -1.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7818   -9.7327   -1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7892   -9.3514   -3.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5562  -11.7697   -3.5960 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5061  -12.1736   -1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7680  -11.2037   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8224  -10.7118   -3.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5849  -13.1440   -3.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6089  -13.6111   -2.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7826  -11.9346   -5.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1955  -13.3515   -3.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9326  -14.6956   -2.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3943  -13.0905   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0870  -14.3135   -0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  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 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8  9  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 46  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 20  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 68  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 72  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 671👍, 0💬