Molecule FYI-1004201

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Molecule Summary:

ID: FYI-1004201
Names:
InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccccc1C(=O)OCC

Received at FYIcenter.com on: 2023-08-22

Molecule ID: FYI-1004201 Edit

Molecule Structure InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1ccccc1C(=O)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004201
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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    1.4000    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004201-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
   -2.0629   -0.8513   -0.4923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3748   -0.6827   -0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0404   -0.3295    1.7496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -1.2814    1.3250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7835    0.9749    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5996    0.7967    0.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3368    2.2091   -0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    1.8527   -0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6764   -0.1087    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078   -0.4802    0.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070    3.2650   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759    3.0869   -0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459   -1.9491   -0.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0686   -1.9081    0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2582   -2.6445   -1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -1.9498   -0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4130    2.3604   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.7524   -0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377    4.2261   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5217    3.9103   -0.8462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4628   -2.6516    0.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708   -1.5746    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306   -1.9604    1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4210   -2.7536   -0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3393   -3.0072   -2.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9321   -3.4910   -1.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7243   -1.9480   -2.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824   -2.8752   -0.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0795   -1.8791   -1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741   -1.0984   -0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1596👍, 0💬