Molecule FYI-1000201

Home > Molecule

A

Molecule Summary:

ID: FYI-1000201
SMILES: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC

Received at FYIcenter.com on: 2020-12-12

Molecule ID: FYI-1000201 Edit

Molecule Structure SMILES String: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000201
FYIcenter.com

 36 35  0  0  0  0  0  0  0  0999 V2000
   12.2507    9.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0257    7.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0257    6.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7357    3.4614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5755    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    1.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    1.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    3.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    6.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    7.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    3.5364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    4.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    3.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    6.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    5.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5755    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0257    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4758    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7009    0.0000    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  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  2  0  0  0  0
 15 13  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 11  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  1  0  0  0  0
 27 26  1  0  0  0  0
 28 11  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  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 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000201-3D
FYIcenter.com

 86 85  0  0  0  0  0  0  0  0999 V2000
    6.2975    8.4126    3.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3064    7.8900    2.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9039    8.2803    0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9062    7.7576   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4951    8.1551   -1.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4988    7.6703   -2.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6354    6.2361   -2.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2860    5.6055   -3.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5256    6.0747   -4.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9650    4.2620   -3.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5186    4.2908   -3.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1484    4.7953   -2.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6576    4.7937   -2.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3639    3.7919   -2.7421 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1174    6.0391   -2.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9896    6.0719   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3968    6.5106   -1.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2756    6.5830   -0.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7014    7.0056   -0.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5838    7.0733    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0000    7.4956    0.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0100    2.9691   -4.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0040    1.9425   -3.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5774    2.0248   -2.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5070    0.6414   -4.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4355   -0.4447   -3.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1666   -0.0959   -4.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9764    5.2631   -5.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9854    5.9547   -4.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036    5.3419   -6.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1339    6.5922   -6.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    6.6906   -7.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3036    8.0292   -8.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4927    8.1269   -9.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5124    9.4583  -10.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6960    9.5411  -11.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891    8.1281    4.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    8.0024    3.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2329    9.5046    3.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3729    6.7988    2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2984    8.2945    2.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8346    9.3724    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    7.8765    0.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9735    6.6663   -0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9025    8.1609    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4275    9.2490   -1.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5013    7.7506   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4901    8.0691   -2.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2282    8.0521   -3.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5885    3.8377   -4.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5855    3.5867   -3.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246    4.2228   -1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8451    5.8251   -2.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0068    5.1053   -0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5502    6.7991   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3655    7.4869   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8223    5.8082   -2.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2912    5.6042    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8431    7.2954    0.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6834    7.9863   -1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1304    6.2929   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6122    6.0946    1.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1643    7.7868    1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4563    6.7840   -0.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6226    7.5403    1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0062    8.4851   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3993    0.3393   -3.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8191    0.7750   -5.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793   -0.6074   -2.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -1.3944   -4.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    0.8279   -4.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4272   -0.8949   -4.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3780    0.0293   -5.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1522    7.4174   -6.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1813    6.6667   -7.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2444    5.8555   -8.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494    6.5740   -7.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3512    8.8533   -7.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3673    8.1430   -9.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4476    7.3011  -10.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4282    8.0144   -8.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5669   10.2910   -9.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5842    9.5786  -10.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6438    9.4577  -10.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6927   10.4988  -11.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6558    8.7412  -11.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  2  3  1  0  0  0  0
  2 40  1  0  0  0  0
  2 41  1  0  0  0  0
  3  4  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  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
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 28  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  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 19  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 20 21  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 21 66  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 67  1  0  0  0  0
 25 68  1  0  0  0  0
 26 27  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 71  1  0  0  0  0
 27 72  1  0  0  0  0
 27 73  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 33  1  0  0  0  0
 32 76  1  0  0  0  0
 32 77  1  0  0  0  0
 33 34  1  0  0  0  0
 33 78  1  0  0  0  0
 33 79  1  0  0  0  0
 34 35  1  0  0  0  0
 34 80  1  0  0  0  0
 34 81  1  0  0  0  0
 35 36  1  0  0  0  0
 35 82  1  0  0  0  0
 35 83  1  0  0  0  0
 36 84  1  0  0  0  0
 36 85  1  0  0  0  0
 36 86  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-02-04, 2686👍, 0💬