Molecule FYI-1006130

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A

Molecule Summary:

ID: FYI-1006130
Names:
InChIKey: MLLAPOCBLWUFAP-UHFFFAOYSA-N
SMILES: CC(C)CCOC(=O)c1ccccc1

Received at FYIcenter.com on: 2023-11-28

Molecule ID: FYI-1006130 Edit

Molecule Structure InChIKey: MLLAPOCBLWUFAP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCOC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006130
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    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 O   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
    7.2746    2.1000    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
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1001    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.2000    0.0000 C   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
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006130-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    0.5269   -0.1624    0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.9437   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788   -0.6453    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7743   -0.9543    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    0.2345   -0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514   -0.1696   -1.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7032    0.4030    1.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998    0.7937   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749    0.2558   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    1.1136    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967   -1.0854   -0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    0.6080    0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2884   -1.5910   -0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300   -0.7443    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -1.5750    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142   -1.3143    1.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382   -1.7874   -0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680    1.0692    0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0658    0.5647   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7413   -0.1179   -1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2618    0.8290   -1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835   -0.8642   -1.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778    1.3888    1.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7934    0.5110    1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937    0.1054    2.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    2.1675    0.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2063   -1.7627   -0.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908    1.2671    0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4842   -2.6434   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3359   -1.1379    0.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 1694👍, 0💬