Molecule FYI-1016281

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Molecule Summary:

ID: FYI-1016281
Names:
InChIKey: SDOLOFZYEQQRKZ-UHFFFAOYSA-N
SMILES: CCCCCC(Cl)CCC(=O)OCCCl

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016281 Edit

Molecule Structure InChIKey: SDOLOFZYEQQRKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(Cl)CCC(=O)OCCCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1016281
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   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
    8.4871    3.5000    0.0000 Cl  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
    6.0621    2.1000    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
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  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  6  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 13  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016281-3D
FYIcenter.com

 35 34  0  0  1  0  0  0  0  0999 V2000
    0.9790   -0.0453    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -0.0253    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0599    0.1070    1.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5902    0.1447    1.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410    0.2934    2.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6753    0.3032    2.9547 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3409    1.7054    2.0515 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2016    0.3746    4.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153   -0.8211    5.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938   -2.0929    4.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630   -2.3264    4.3643 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376   -2.8581    4.2427 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5299   -3.8764    3.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171   -5.0624    3.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805   -5.9404    5.0506 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5996   -0.1394   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.8772    0.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988   -0.8903    0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8458    0.8115   -0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710   -0.9465   -0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149   -0.7345    2.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748    1.0236    1.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204    0.9779    0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9784   -0.7775    1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7530   -0.5444    3.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7429    1.2082    3.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0729   -0.5848    2.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8453    1.2932    4.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2978    0.4401    4.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341   -0.8558    5.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784   -0.7420    6.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676   -3.4153    2.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5672   -4.2132    2.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2612   -4.7664    4.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5341   -5.7667    3.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
M  END
$$$$

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2025-12-09, 934👍, 0💬