Molecule FYI-1001971

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Molecule Summary:

ID: FYI-1001971
SMILES: CC(C)CCCCCOC(=O)C=C

Received at FYIcenter.com on: 2023-01-09

Molecule ID: FYI-1001971 Edit

Molecule Structure SMILES String: CC(C)CCCCCOC(=O)C=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001971
FYIcenter.com

 13 12  0  0  0  0  0  0  0  0999 V2000
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   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
    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  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001971-3D
FYIcenter.com

 33 32  0  0  0  0  0  0  0  0999 V2000
    1.0401   -0.0004   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5699   -0.0234   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454   -0.4225   -1.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228    1.3439    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512    1.4015    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1558    2.7658    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6813    2.8045    0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2138    4.1513    1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6492    4.1350    1.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1956    3.5623    2.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5929    3.0806    3.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6641    3.6027    2.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4400    3.0589    3.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6299   -0.9753   -0.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393    0.7488   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750    0.2356    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9134   -0.7874    0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7931    0.3451   -2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5797   -1.3634   -1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274   -0.5803   -1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    1.5676    1.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7387    2.1315   -0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0519    1.2124   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.6158    1.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    2.9705    1.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7648    3.5518    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658    2.6036   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    1.9988    1.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8172    4.4211    2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9094    4.9428    0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818    4.0764    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0102    2.5814    4.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5210    3.0782    3.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-31, 1205👍, 0💬