Molecule FYI-1015621

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A

Molecule Summary:

ID: FYI-1015621
Names:
InChIKey: RZGFUGXQKMEMOO-UPHRSURJSA-N
SMILES: O=C(O)CC1CCC(=O)C1C/C=C\\CCO

Received at FYIcenter.com on: 2025-09-18

Molecule ID: FYI-1015621 Edit

Molecule Structure InChIKey: RZGFUGXQKMEMOO-UPHRSURJSA-N

Molecule Structure SMILES String: O=C(O)CC1CCC(=O)C1C/C=C\CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015621
FYIcenter.com

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.9339    7.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1628    1.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7795    1.8826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845   10.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644    4.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5115    6.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9884    4.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    5.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    6.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4098    3.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7297    6.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480    6.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1174    2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663    6.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1663    8.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0003    3.2758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913    5.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    3.5153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    2.9431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470    6.3872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624    7.9144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0264    7.9552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858    3.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3039    4.7475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    4.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    6.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9009    8.2253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4629    9.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7912    8.8471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    7.6288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6028   10.9572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015621-3D
FYIcenter.com

 34 34  0     1  0  0  0  0  0999 V2000
   -1.3851   -2.6793    1.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6316    2.1156    0.4691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4210    2.6018    0.2284 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722    0.4808    0.1910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0373   -0.0679   -0.8429 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7058   -0.5688    0.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0585   -1.3374   -1.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -2.4112   -0.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728   -1.9743    0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3843    0.6580   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7907   -0.6219    0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3804    0.7550    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    1.8907   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    1.1989    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302    0.3742   -0.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2178   -0.4142   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    0.6190   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    0.0001    1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6029   -1.2096   -2.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311   -1.6278   -1.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -2.4004   -0.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2978   -3.4041   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9552   -1.1122    1.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2932   -1.2694    0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6216    0.9702   -1.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1856   -0.0087   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9807    1.4180    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    2.2064    0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236   -0.2884   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3845    1.0737   -1.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635    2.9137    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6982   -0.9704   -1.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9084   -1.1229    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9132   -0.0587    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 13  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4 16  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2025-09-24, 871👍, 0💬