Molecule FYI-1005877

A

Molecule Summary:

ID: FYI-1005877
Names:
InChIKey: DVKKNBGQAADHHH-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(C(=O)O)cc1

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005877 Edit

Molecule Structure InChIKey: DVKKNBGQAADHHH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(C(=O)O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005877
FYIcenter.com

 33 33  0  0  0  0  0  0  0  0999 V2000
   30.3109    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    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
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   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
    1.2125    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
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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  2  0  0  0  0
 10  8  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  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 29  1  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005877-3D
FYIcenter.com

 63 63  0  0  0  0  0  0  0  0999 V2000
    4.1451   -0.5622    7.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -1.0832    6.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5476   -1.6052    5.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6472   -1.2304    4.8932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0443   -0.6417    5.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024   -0.8019    3.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3078   -0.2284    4.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679   -0.9043    5.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5521   -0.3159    6.0742 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1387   -2.2412    4.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8302   -2.9869    5.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3399   -2.8214    5.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7954   -3.3714    4.5419 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2012   -3.2157    4.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9822   -4.0247    5.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3754   -3.8841    5.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1049   -4.5907    6.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5902   -4.3945    5.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3270   -5.0902    6.9379 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7231   -4.9434    6.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5166   -5.7447    7.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9274   -5.5844    7.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4625   -6.4182    6.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8817   -7.2813    5.9370 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9249   -6.1932    6.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5211   -4.9486    6.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9129   -4.8031    6.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7097   -5.9016    6.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1928   -5.8366    6.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9011   -6.8032    6.3859 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6846   -4.6410    5.7781 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1076   -7.1419    5.9997 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7215   -7.2841    6.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768   -1.9990    5.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -0.7203    4.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7293   -2.2979    4.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5227   -1.1396    5.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9682    0.4215    5.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190   -0.2913    2.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623   -1.8639    3.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2584    0.8441    4.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891   -0.3446    3.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577   -4.0377    5.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4843   -2.6878    6.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7827   -3.3700    6.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6404   -1.7710    5.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4773   -2.1550    4.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4456   -3.5685    3.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6881   -5.0789    5.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7636   -3.6701    6.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8525   -5.6585    6.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8337   -4.2184    7.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8310   -3.3251    5.9700 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8559   -4.7658    4.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0037   -3.8862    6.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9723   -5.2914    5.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2265   -6.8036    7.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3006   -5.3747    8.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9133   -4.0912    6.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3559   -3.8391    6.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0307   -3.9919    5.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7169   -8.0093    5.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2658   -8.2537    5.9021 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  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  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 33  2  0  0  0  0
 26 27  2  0  0  0  0
 26 59  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 61  1  0  0  0  0
 32 33  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2364👍, 0💬