Molecule FYI-1006999

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A

Molecule Summary:

ID: FYI-1006999
Names:
InChIKey: GDRKZARFCIYVCI-UHFFFAOYSA-N
SMILES: CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006999 Edit

Molecule Structure InChIKey: GDRKZARFCIYVCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006999
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006999-3D
FYIcenter.com

 41 41  0     1  0  0  0  0  0999 V2000
    5.1601   -1.5843   -0.0866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -1.5227   -1.0925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169    1.8996   -0.5301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6363   -0.1458    0.5809 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071   -0.4771    0.6253 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1969   -0.8281    1.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241    0.7859   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -0.7473    0.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1801   -1.0459   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3478    2.0702    0.4980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -1.0544   -0.7984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837   -0.8077   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    3.2963   -0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2368    0.4431   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4284   -1.8371    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705    0.6707   -0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7619   -1.6094    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330   -0.3555    0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0181    2.8495    0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2402   -0.3473    1.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223   -1.7591    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -0.0354    1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    0.6818   -1.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7596    0.8632   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698   -1.3452    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6603    0.3118    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929    2.0432    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    2.1616    1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1227   -2.0982   -1.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.4542   -1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    4.2046    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6353    3.3806   -0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9808    3.2495   -1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.6853   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6440    1.2445   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -2.8161    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3443   -2.4176    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0035   -0.9661    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5053    3.7739    0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9687    3.0664    0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5252    2.4809    1.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 34  1  0  0  0  0
  2  9  2  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

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2024-01-31, 948👍, 0💬