Molecule FYI-1003706

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A

Molecule Summary:

ID: FYI-1003706
Names:
InChIKey: XOJWAAUYNWGQAU-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCCCCOC(=O)C(=C)C

Received at FYIcenter.com on: 2023-07-20

Molecule ID: FYI-1003706 Edit

Molecule Structure InChIKey: XOJWAAUYNWGQAU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCCCCOC(=O)C(=C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003706
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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  2  0  0  0  0
 16 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003706-3D
FYIcenter.com

 34 33  0     0  0  0  0  0  0999 V2000
   -3.0509    0.1660   -0.0057 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508   -0.1659   -0.0114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874   -1.7753    0.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2873    1.7752    0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6653    0.3723   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653   -0.3720   -0.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463   -0.5876   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    0.5876   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2105   -0.5549    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2105    0.5549    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3818    0.3654    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818   -0.3654    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1774    1.8493   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1775   -1.8492   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6018   -0.1912    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6018    0.1911    0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7426    1.0278   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    1.0330    0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -1.0476    0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -1.0124   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8187   -1.2338   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8081   -1.2116    0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8059    1.2101    0.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8209    1.2353   -0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6160    2.1721    0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6249    2.1488   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1281    2.3932   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6131   -2.1728    0.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280   -2.1482   -0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1282   -2.3932   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4948    0.4260    0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7558   -1.2650    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4949   -0.4261    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7556    1.2649    0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  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  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

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2023-07-29, 737👍, 0💬