Molecule FYI-1009166

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A

Molecule Summary:

ID: FYI-1009166
Names:
InChIKey: DHNGCHLFKUPGPX-RMKNXTFCSA-N
SMILES: CCOC(=O)/C=C/c1ccc(OC)cc1

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009166 Edit

Molecule Structure InChIKey: DHNGCHLFKUPGPX-RMKNXTFCSA-N

Molecule Structure SMILES String: CCOC(=O)/C=C/c1ccc(OC)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1009166
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    9.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2002    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009166-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    4.8907    0.3262   -0.1384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.6225   -0.0940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3514   -1.6172    0.2761 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8464   -0.5864    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2761    0.7257    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -1.5916   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5646    0.0272   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351    1.0324    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349   -1.2848   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703   -0.9062    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5791   -0.0161    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1888    0.3728   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866   -0.4683    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9284    1.6764   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2608    1.6874    0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906    1.5360    0.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601   -2.6198   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    2.0704    0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8545   -2.0720   -0.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8048   -1.9565    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122    1.0386   -0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4609   -0.3400   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4511   -0.0467    0.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0104    1.5218   -0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6526    2.4058    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6622    2.1172   -1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0052    2.0192    1.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    2.3443   -0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3506    1.7439   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  9  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 12 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
$$$$

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2024-05-05, 1587👍, 0💬