Molecule FYI-1009598

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A

Molecule Summary:

ID: FYI-1009598
Names:
InChIKey: RXMLIGGJYZNYFG-FDVVZRHWSA-N
SMILES: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009598 Edit

Molecule Structure InChIKey: RXMLIGGJYZNYFG-FDVVZRHWSA-N

Molecule Structure SMILES String: C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009598
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009598-3D
FYIcenter.com

 35 34  0     0  0  0  0  0  0999 V2000
    9.7218    0.2296    0.0576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    0.2367   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650   -0.4206   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6678   -0.3401   -0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    0.2565   -0.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9579    0.3172    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2874   -0.3929   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1179   -0.3595    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4447    0.2866   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4069    0.2966    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7623   -0.3119   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6119   -0.2941    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    0.3675   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9616    0.3471    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2125   -0.2801    0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3640    0.4027    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377   -0.3412    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4191    1.3262   -0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685   -1.5078   -0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039   -1.4297   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115    1.3444   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9528    1.4044    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2984   -1.4804   -0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1216   -1.4469    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    1.3751   -0.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3841    1.3853    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7856   -1.4000    0.0026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6400   -1.3834    0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9085    1.4546   -0.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8893    1.4390    0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5160    0.0380    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5283    0.0418   -0.8463 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2195   -1.3666    0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4094    1.4849   -0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609   -1.4404    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  6 22  1  0  0  0  0
  7  9  2  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  2  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  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
$$$$

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2024-05-16, 176👍, 0💬