Molecule FYI-1006160

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Molecule Summary:

ID: FYI-1006160
Names:
InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N
SMILES: COC(=O)Cc1ccc(OC)c(OC)c1

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006160 Edit

Molecule Structure InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)Cc1ccc(OC)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006160
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   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
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006160-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
   -2.4188    1.8628    0.1617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4672   -0.6980    0.4258 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1114   -0.3694   -0.2862 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797    0.4550    1.2288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006   -0.1710   -0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265    0.0134   -1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3066    0.9413   -0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6401    0.7687   -0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258   -1.4559   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1664   -0.5163    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.6286   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    0.0719    0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8041    3.1401    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9266   -2.0435    0.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179   -0.3705    0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239   -0.8140   -1.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0529    0.9342   -1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580    1.9148   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5941   -2.3302   -0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6994   -2.6550   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    3.3092   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9928    3.2893    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    3.8938    0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974   -2.5857    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8871   -2.5656   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9804   -2.0004    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859    0.6464    1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0467   -0.7423    0.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -1.0351    1.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  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 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  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 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-08, 299👍, 0💬