Molecule FYI-1009128

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A

Molecule Summary:

ID: FYI-1009128
Names:
InChIKey: UFFRSDWQMJYQNE-UHFFFAOYSA-N
SMILES: NCCCCCCN.O=C(O)CCCCC(=O)O

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009128 Edit

Molecule Structure InChIKey: UFFRSDWQMJYQNE-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCN.O=C(O)CCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009128
FYIcenter.com

 18 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6564    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    3.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    2.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5988    1.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4987    0.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    0.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    5.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    7.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6142    7.5325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355    8.3618    0.0000 O   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  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009128-3D
FYIcenter.com

 44 42  0  0  0  0  0  0  0  0999 V2000
    0.7371   -0.7408   -0.4746 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0333   -0.9408   -1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6278   -2.2913   -0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0272   -2.4605   -1.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402   -3.8181   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0328   -3.9487   -1.5707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6755   -5.2985   -1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9928   -5.3658   -1.8844 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5014    1.8524    1.9561 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745    1.4881    1.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    2.1329    0.4955 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3325    0.2905    2.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1524    0.6058    3.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3021    1.5732    2.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1537    1.7997    4.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    2.7711    3.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5405    3.2648    2.8781 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0005    3.0361    5.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503    0.2353   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7822   -0.9021    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7124   -0.1363   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209   -0.8784   -2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9746   -3.0997   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6869   -2.3726    0.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800   -1.6609   -0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9766   -2.3524   -2.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921   -4.6225   -1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073   -3.9269    0.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6738   -3.1419   -1.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566   -3.8161   -2.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515   -6.1166   -1.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7834   -5.4278   -0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8945   -5.3185   -2.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4202   -6.2686   -1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599    1.7572    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9607   -0.1344    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5874   -0.4799    2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5610   -0.3341    3.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5036    1.0240    4.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    2.5351    2.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9275    1.1777    2.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5910    0.8506    4.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    2.2059    5.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6816    2.5763    5.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  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
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$

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2024-05-05, 2044👍, 0💬