Molecule FYI-1006121

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A

Molecule Summary:

ID: FYI-1006121
Names:
InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)O

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006121 Edit

Molecule Structure InChIKey: ZQPPMHVWECSIRJ-KTKRTIGZSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006121
FYIcenter.com

 20 19  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    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    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006121-3D
FYIcenter.com

 54 53  0     0  0  0  0  0  0999 V2000
    7.2438    0.3284   -0.6585 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472   -0.1564    1.2753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1503   -1.5706   -0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4422   -1.3743    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942   -2.3907    0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012    1.9226   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016    1.3600    0.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5251   -0.6197   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513    1.9525    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4597    1.3590   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105   -2.6942   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1402    0.7880   -0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879    2.4841   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    0.8265    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2198   -3.5599    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8401    1.7249    0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267    2.4473    0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9376    0.7868   -0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -3.8707   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    0.2564    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120   -0.6036   -0.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3866   -2.0763   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8429   -2.3555    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2198   -0.8479    1.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8271   -1.8633    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439   -3.3435    0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219    2.9375   -0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    1.3077   -1.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3799    1.9612    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826    0.3378    0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4239   -0.5581    0.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8056   -1.2134   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0555    2.5759    1.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4527    0.9403    0.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6694    2.3772   -0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904    0.7391   -1.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0849   -3.1921   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395   -1.7440   -0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9916    1.2045   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3225    0.7258   -1.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205    1.9282   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101    3.5260   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503   -0.1828    0.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8442    1.4521    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5302   -3.0521    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -4.5038    0.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6389    1.8410    1.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    3.0866    1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7734    0.1451   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1730    1.8000   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9701   -2.9499   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520   -4.4899    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -4.4129   -1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0434    0.0024   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 54  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5 11  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  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
M  END
$$$$

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2023-12-03, 389👍, 0💬