Molecule FYI-1006054

A

Molecule Summary:

ID: FYI-1006054
Names:
InChIKey: VNARLHBYSZUQEN-RUDMXATFSA-N
SMILES: CC=C(C)C(=O)OC1CC2CCC(C1)[N+]2(C)[O-]

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006054 Edit

Molecule Structure InChIKey: VNARLHBYSZUQEN-RUDMXATFSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CCC(C1)[N+]2(C)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1006054
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    6.8432    3.1509    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2267   -0.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -2.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    2.1563    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4752    1.1737    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2164    0.2078    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8742    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6154   -0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954   -0.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8251    2.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   -1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -2.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -3.3064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -3.6770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
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  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006054-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    2.5436    1.9696   -0.2802 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1041    0.3268    0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361   -1.6241   -0.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902    0.6901   -0.1241 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5406    0.0598    1.1844 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3657   -0.2814   -1.1128 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8230   -1.4362    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073   -1.6612   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0317    0.3131    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398   -0.0611   -1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1881   -0.2696    0.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4905    0.7283   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -0.4659   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4189    0.2969   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3710    1.7877   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236   -0.4341    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9311    0.0612    0.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234    0.5068    1.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -0.1013   -2.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -2.0763    1.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8363   -1.6854    1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6642   -2.0201   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9594   -2.4215   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6961   -0.1211    2.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8365    1.3893    1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6087    0.9466   -1.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811   -0.7449   -1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1005   -1.3472    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162   -0.2681   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8569    1.3979    0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    2.2574    0.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6973    2.0613   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3430    2.2234   -0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4328   -1.5131    0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3715   -0.2938    1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5273   -0.3367   -0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0168    1.1493    0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1334👍, 0💬