Molecule FYI-1004705

A

Molecule Summary:

ID: FYI-1004705
Names:
InChIKey: YABTYYUIWFCMDW-SRTAMGJPSA-L
SMILES: CCCC[Sn](CCCC)(CCCC)OC(=O)/C=C/C(=O)O[Sn](CCCC)(CCCC)CCCC

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004705 Edit

Molecule Structure InChIKey: YABTYYUIWFCMDW-SRTAMGJPSA-L

Molecule Structure SMILES String: CCCC[Sn](CCCC)(CCCC)OC(=O)/C=C/C(=O)O[Sn](CCCC)(CCCC)CCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004705
FYIcenter.com

 34 33  0  0  0  0  0  0  0  0999 V2000
   15.7617    0.7000    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
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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  1  0  0  0  0
 10  5  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  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  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 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 22  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004705-3D
FYIcenter.com

 90 89  0  0  0  0  0  0  0  0999 V2000
    1.4800    4.1297   -2.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503    4.5909   -3.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4805    4.0737   -3.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0606    4.5442   -5.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    3.7516   -5.5007 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.9533    1.6127   -5.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0652    1.0845   -6.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885   -0.4442   -6.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023   -0.9749   -7.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8812    4.3315   -7.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9771    5.8541   -7.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6058    6.2933   -8.8033 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776    7.8150   -8.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3392    4.3882   -4.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9348    3.5517   -3.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2754    2.7243   -2.6953 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3984    3.5979   -3.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1675    4.3977   -3.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.4381   -3.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2761    5.1880   -4.4666 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2587    3.6487   -2.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0581    4.0015   -2.1347 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    3.9901   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3586    2.6207    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1954    2.5778    1.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057    1.2082    2.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4735    2.4926   -2.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6535    2.4811   -4.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6912    1.4364   -4.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8611    1.4238   -6.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8137    5.9162   -2.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8717    7.0336   -2.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4040    8.4035   -2.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4464    9.5167   -2.3176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452    4.5147   -2.2480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1007    4.5169   -1.5304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    3.0202   -2.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0453    5.7023   -3.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3985    4.2110   -4.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722    2.9619   -3.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283    4.4427   -3.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    5.6532   -5.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4307    4.1755   -6.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474    1.3150   -4.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851    1.2149   -5.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4829    1.4103   -7.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0447    1.5114   -6.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -0.7727   -5.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0080   -0.8730   -6.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710   -0.5750   -7.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0621   -2.0832   -7.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5138   -0.6772   -8.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446    3.9349   -8.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8956    3.8832   -7.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5983    6.2306   -6.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9554    6.2831   -7.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9975    5.9089   -9.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6346    5.8784   -8.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581    8.2525   -8.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1351    8.1047   -9.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2980    8.2285   -8.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505    2.9444   -2.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105    5.0380   -4.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1280    4.7787    0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8433    4.2160    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0902    1.8454    0.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3797    2.4073   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4606    3.3491    2.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1724    2.7921    2.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7191    0.9771    1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5973    1.2053    3.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4345    0.4206    2.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130    1.5024   -2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4405    2.7242   -2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9893    3.4876   -4.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6753    2.2532   -4.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3678    0.4264   -4.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6722    1.6700   -4.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8982    1.1697   -6.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6181    0.6631   -6.4457 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2031    2.4181   -6.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9220    5.9184   -3.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8139    6.0556   -2.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667    7.0034   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8707    6.8779   -2.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5231    8.4294   -3.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3950    8.5818   -2.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4566    9.3718   -2.8016 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8568   10.4979   -2.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    9.5239   -1.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2 38  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 50  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  1  0  0  0  0
 10 53  1  0  0  0  0
 10 54  1  0  0  0  0
 11 12  1  0  0  0  0
 11 55  1  0  0  0  0
 11 56  1  0  0  0  0
 12 13  1  0  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
 13 59  1  0  0  0  0
 13 60  1  0  0  0  0
 13 61  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
 23 65  1  0  0  0  0
 24 25  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 26  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
 27 28  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
 28 75  1  0  0  0  0
 28 76  1  0  0  0  0
 29 30  1  0  0  0  0
 29 77  1  0  0  0  0
 29 78  1  0  0  0  0
 30 79  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 32  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 33  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 34  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 34 90  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 2984👍, 0💬