Molecule FYI-1005946

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A

Molecule Summary:

ID: FYI-1005946
Names:
InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N
SMILES: O=C=NCCCCCCN=C=O

Received at FYIcenter.com on: 2023-11-23

Molecule ID: FYI-1005946 Edit

Molecule Structure InChIKey: RRAMGCGOFNQTLD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C=NCCCCCCN=C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005946
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  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  7  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 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005946-3D
FYIcenter.com

 24 23  0     0  0  0  0  0  0999 V2000
    5.8902   -0.4591   -0.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8892    0.4941    0.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433   -0.1566    0.3587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6270    0.1396   -0.3897 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -0.0812   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347    0.0736    0.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    1.1279    0.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5626   -1.1535   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0104    1.0299   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269   -1.0237    0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656   -0.3063    0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7569    0.3153   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1360   -0.9972    0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743   -0.1954   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1497    0.9765   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7847    0.2145    1.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    1.2171    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    2.0444   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1402   -2.0490    0.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994   -1.3000   -1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419    1.9390    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360    0.9878   -1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5542   -1.9423   -0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0935   -0.9310    1.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1718👍, 0💬