Molecule FYI-1003776

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A

Molecule Summary:

ID: FYI-1003776
Names:
InChIKey: DNDPPUIRFANASW-UHFFFAOYSA-N
SMILES: C1COCOCOCOCOCOCOCOCOCO1

Received at FYIcenter.com on: 2023-07-26

Molecule ID: FYI-1003776 Edit

Molecule Structure InChIKey: DNDPPUIRFANASW-UHFFFAOYSA-N

Molecule Structure SMILES String: C1COCOCOCOCOCOCOCOCOCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003776
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2013    7.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4126    6.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4126    2.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    0.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9952    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3601    0.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5725    1.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5247    2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1322    3.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    4.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1322    6.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5247    7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5725    8.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3601    9.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9952    9.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    9.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959    8.7510    0.0000 O   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  3  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  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003776-3D
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
    8.3173    5.9135    5.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    6.2050    6.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.7802    6.2681 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8173    7.2389    7.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0051    6.4481    7.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2778    6.9894    7.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9448    6.2492    6.2342 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0563    5.6676    5.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8421    4.3169    5.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4962    3.9933    5.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9402    3.1870    4.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1436    3.6768    3.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054    4.7447    3.1023 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9624    4.3613    3.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5413    3.2466    2.3496 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    3.0459    2.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2261    2.2398    2.3073 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0772    2.5416    3.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0118    3.9162    3.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4456    4.2754    5.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8846    4.5234    5.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4405    6.4523    4.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4716    6.3343    6.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8345    5.3052    7.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2339    6.9987    7.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1146    8.2765    7.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2588    7.2476    8.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2340    8.0367    6.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9774    6.9672    8.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4949    5.7049    4.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1176    6.2747    5.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8468    4.8382    6.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4340    3.3974    6.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1518    4.0171    3.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9903    2.8429    2.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    5.2448    2.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7754    4.1155    4.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8134    4.0379    2.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556    2.6787    3.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2178    2.3960    2.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0018    1.7906    3.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9103    5.1962    5.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0780    3.5033    5.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 1606👍, 0💬