Molecule FYI-1014513

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A

Molecule Summary:

ID: FYI-1014513
Names:
InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N
SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

Received at FYIcenter.com on: 2025-04-24

Molecule ID: FYI-1014513 Edit

Molecule Structure InChIKey: UYXTWWCETRIEDR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014513
FYIcenter.com

 21 20  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   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    4.2000    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
    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 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  2  0  0  0  0
  6  4  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014513-3D
FYIcenter.com

 47 46  0     0  0  0  0  0  0999 V2000
    1.4103   -0.7603    1.0955 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8505    1.9435    1.3880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330   -0.9374    1.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3683   -1.5604   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    2.7819   -0.0937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3299   -1.7017   -0.9029 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689   -0.2881    0.9496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894    0.9534    1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8886   -1.3940    1.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -1.8186    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -1.3820   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0016   -2.5469   -0.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5080    3.7726    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530   -0.6162    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9321    3.6690   -1.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9857   -0.8043   -1.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4037    2.7977    0.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422   -1.1567    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315   -2.9522   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4759    2.2877   -1.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4130   -0.2869   -1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260    0.0067   -0.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662    0.7237    2.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121    1.3472    1.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7109   -1.6630    2.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239   -2.3178    0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179   -2.4806    1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9344   -0.9252    0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187   -3.4401   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988   -1.9033   -1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1393    4.7802    0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727    3.6040    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2022    0.4505    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894   -1.1417    0.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7022    4.4210   -1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    3.8855   -2.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0010   -1.8666   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4498   -0.2804   -2.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475   -2.0750   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4654   -3.6242    0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8772   -3.4728   -1.3921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3079    2.0240   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042    1.5174   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8436    2.2637   -2.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9843   -0.8190   -0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4309    0.7817   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9182   -0.4305   -2.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  2  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 19  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
$$$$

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2025-05-12, 376👍, 0💬