Molecule FYI-1014348

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A

Molecule Summary:

ID: FYI-1014348
Names:
InChIKey: OQTCBCKWXZPWSM-UHFFFAOYSA-N
SMILES: CCC(=O)OCCN(CC)CCOC(=O)CC

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014348 Edit

Molecule Structure InChIKey: OQTCBCKWXZPWSM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)OCCN(CC)CCOC(=O)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014348
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    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
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    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    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014348-3D
FYIcenter.com

 40 39  0  0  0  0  0  0  0  0999 V2000
    3.3924   -0.9449    4.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    0.5170    4.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    0.7257    3.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7791   -0.1354    2.5110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0256    2.0178    2.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588    2.3546    1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.4554    1.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991    3.6133    2.5008 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3724    3.4816    3.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7231    4.6479    4.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2860    3.6245    2.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8921    3.8644    1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3317    3.8768    1.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    2.6350    1.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2816    1.5846    1.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4047    2.7584    1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0578    1.3888    1.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406   -1.0920    5.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4185   -1.2994    4.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343   -1.5704    4.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    1.1257    5.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    0.8427    4.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3666    3.3076    1.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5395    1.6098    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6737    2.5428    0.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866    1.5209    2.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7645    2.5503    4.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2831    3.4243    3.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7509    5.0006    4.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5939    4.3318    5.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528    5.4952    4.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6913    2.7014    2.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6870    4.4327    3.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5785    4.8428    0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5830    3.1217    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6970    3.3517    2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7230    3.2702    0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7469    0.8539    2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1471    1.4826    1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7755    0.7750    0.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1394👍, 0💬