Molecule FYI-1014813

A

Molecule Summary:

ID: FYI-1014813
Names:
InChIKey: RKSTUTYIQBHTLA-UHFFFAOYSA-N
SMILES: C=CC(=O)OCC(C)OCC(COC(C)COC(=O)C=C)(COC(C)COC(=O)C=C)COC(C)COC(=O)C=C

Received at FYIcenter.com on: 2025-05-27

Molecule ID: FYI-1014813 Edit

Molecule Structure InChIKey: RKSTUTYIQBHTLA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCC(C)OCC(COC(C)COC(=O)C=C)(COC(C)COC(=O)C=C)COC(C)COC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014813
FYIcenter.com

 41 40  0  0  0  0  0  0  0  0999 V2000
   13.1600   10.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1600    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3563    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    8.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7491    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7491    6.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9454    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1418    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    8.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    6.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2019    6.3892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    4.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    4.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    4.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    4.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    4.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1600    4.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    2.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1600    2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    7.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5497    6.1218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    5.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    6.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2354    3.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    3.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    2.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    1.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854    1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1782    8.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   10.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891    8.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    8.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928    6.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    8.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2886    0.0000 C   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  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 11  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 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 11  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014813-3D
FYIcenter.com

 85 84  0  0  1  0  0  0  0  0999 V2000
    5.9317   -1.2632   -5.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1482   -1.0450   -5.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647   -1.1392   -3.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5043   -1.4140   -3.1304 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6702   -0.8772   -3.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9997   -0.9018   -2.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5635    0.4020   -1.5947 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9206    0.3584   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2189    1.4913   -2.2483 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    2.7782   -1.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632    3.9030   -2.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778    3.9156   -3.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660    4.1199   -4.1182 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4780    4.1348   -5.5045 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8263    2.8150   -6.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9631    4.3877   -5.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5260    4.4125   -6.9718 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7639    5.5891   -7.6063 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2856    6.5802   -7.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2863    5.4820   -9.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3974    6.5254   -9.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3140    5.2710   -1.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.3391   -0.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3815    6.6044    0.1616 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8821    6.8966    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8552    6.5629    1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    7.8064    2.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4686    8.7902    2.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4585    8.6958    1.2913 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   10.0087    2.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   11.1244    2.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1778    3.6554   -2.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5864    2.4054   -2.8396 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9817    2.1273   -2.7000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4090    2.0875   -1.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2906    0.7768   -3.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6926    0.4576   -3.2605 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4757    1.0950   -4.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0975    1.8726   -5.0307 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8826    0.7068   -3.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8558    1.2019   -4.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7553   -1.1917   -6.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0853   -1.5173   -5.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953   -0.7880   -6.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0828   -1.0421   -2.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5189   -1.7657   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4852    0.5253   -1.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0083    0.3525    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874   -0.5135    0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5408    1.2398    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2040    2.8084   -0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8240    2.9253   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5622    2.9527   -4.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8147    4.7041   -4.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9945    4.9574   -6.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    1.9737   -5.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9065    2.6596   -6.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4701    2.7851   -7.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6957    5.3325   -5.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148    3.5989   -5.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8430    4.5475   -9.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410    7.4659   -9.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0429    6.4602  -10.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2341    5.4230   -1.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8228    6.0776   -2.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9307    7.3987   -0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3163    6.0567    0.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5479    7.0281   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6177    7.8128    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9304    6.3461    1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3522    5.7500    2.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1735    9.9661    3.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042   11.1617    2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5244   12.0256    3.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4049    3.6698   -1.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7475    4.4540   -2.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5397    2.9080   -3.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7893    1.3795   -0.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2924    3.0644   -0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    1.8107   -1.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9964    0.7888   -4.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099   -0.0251   -2.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0958    0.0093   -3.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6387    1.9000   -5.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8903    0.9173   -4.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 47  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 51  1  0  0  0  0
 10 52  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 55  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 17  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 27  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
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 72  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 33  1  0  0  0  0
 32 75  1  0  0  0  0
 32 76  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 77  1  0  0  0  0
 35 78  1  0  0  0  0
 35 79  1  0  0  0  0
 35 80  1  0  0  0  0
 36 37  1  0  0  0  0
 36 81  1  0  0  0  0
 36 82  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 83  1  0  0  0  0
 41 84  1  0  0  0  0
 41 85  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1540👍, 0💬