Molecule FYI-1004691

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A

Molecule Summary:

ID: FYI-1004691
Names:
InChIKey: ZSIIUNWSKXCWOX-VBONDNGNSA-N
SMILES: COC/C(C)=C/C(C)C(=O)CCCC/C=C/C(C)C

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

Molecule ID: FYI-1004691 Edit

Molecule Structure InChIKey: ZSIIUNWSKXCWOX-VBONDNGNSA-N

Molecule Structure SMILES String: COC/C(C)=C/C(C)C(=O)CCCC/C=C/C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004691
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    3.5000    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
   13.3368    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
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004691-3D
FYIcenter.com

 49 48  0  0  1  0  0  0  0  0999 V2000
    0.6417    3.6759    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    3.8182    1.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7381    2.6151    0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178    2.8317    1.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347    3.1938    2.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0919    2.6833    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5935    2.8335    0.1969 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2615    1.5204   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0557    3.9578   -0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2924    4.5478   -1.5114 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429    4.2833   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8324    5.7537   -0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421    6.6664    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    8.1338   -0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9368    9.0182    0.8289 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    9.8351    1.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0610   10.7185    2.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6564   10.3666    4.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3099   12.1865    2.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1562    4.6305    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2259    2.9118    1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401    3.4156    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264    2.3316   -0.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3902    1.8068    1.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    3.5533    3.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    3.9969    2.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0522    2.3198    3.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908    2.4426   -0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9257    3.1040    1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0383    1.2623   -1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    0.6942    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3516    1.5898   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0256    3.6584   -1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9578    4.0093    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4394    6.0349   -1.9829 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9198    5.8946   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6550    6.3938    1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1562    6.5220    0.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1106    8.4088   -1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    8.2862   -0.2942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8552    8.9732    0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7390    9.8789    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   10.5616    2.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7434   10.5061    4.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4492    9.3222    4.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2273   10.9980    4.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3816   12.4120    2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8643   12.8413    3.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8672   12.4454    1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1783👍, 0💬