Molecule FYI-1001802

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Molecule Summary:

ID: FYI-1001802
SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001802 Edit

Molecule Structure SMILES String: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001802
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  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  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 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001802-3D
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
    1.3107    3.3442   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2502    3.8206    0.7193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5877    3.0944    0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459    3.5408    1.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8479    2.7675    1.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7965    3.1886    2.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1856    2.1920    3.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4800    1.2967    3.8907 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6630    2.2317    3.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3685    2.5389    2.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7578    2.6106    2.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4705    2.3694    3.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7921    2.0115    4.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3854    1.9075    4.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320    1.5702    6.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6420    1.9898    6.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6058    0.8741    6.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    1.0075    8.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1083   -0.3326    8.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9146   -0.1980   10.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7430    0.7198   10.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7012   -1.5706   11.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526    3.8690   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    2.2707   -0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348    3.5360   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    3.6448    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    4.9006    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488    3.2758   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    2.0124    0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1086    3.3738    2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    4.6170    1.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3057    2.9785    0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6680    1.6872    1.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8323    2.7227    1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2748    2.8627    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5545    2.4572    3.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    1.8358    5.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    1.7462    8.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3506    1.4060    8.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9365   -1.0251    8.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240   -0.7830    8.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8286    0.2329   10.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8105    0.3682   10.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167    1.7482   10.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    0.7593   11.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959   -2.0510   10.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979   -1.4785   12.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5508   -2.2310   10.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 37  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  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2573👍, 0💬