Molecule FYI-1011227

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A

Molecule Summary:

ID: FYI-1011227
Names: DECANOIC ACID;
InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)O

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011227 Edit

Molecule Names: DECANOIC ACID;

Molecule Structure InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011227
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 32  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011227-3D
FYIcenter.com

 32 31  0     0  0  0  0  0  0999 V2000
   -5.7761    0.7175   -0.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8040   -1.3327    0.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308    0.4378    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -0.3082    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856   -0.4366   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8611    0.5697    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    0.3656    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646   -0.2360    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5066   -0.5555   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4030    0.6600   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8053    0.2331   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7022   -0.1148   -0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    1.0179    1.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7602    1.1675   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -1.0120    0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -0.9170   -0.9093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9450   -1.0335   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783   -1.1451    0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306    1.2165    0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8484    1.2301   -0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026    1.0670   -0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329    0.9628    0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2031   -0.8567    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -0.9264   -0.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864   -1.2693    0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4762   -1.1378   -0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107    1.3305    0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3732    1.2642   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8721    0.9362   -0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6629   -0.4445   -0.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8816    0.8005    0.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6227    0.2221   -0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 32  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  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
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1219👍, 0💬