Molecule FYI-1006700

A

Molecule Summary:

ID: FYI-1006700
Names:
InChIKey: KJEREJFAXOUTLJ-UHFFFAOYSA-N
SMILES: O=C(O)CCCCC(=O)OCCCCOCCCCOCCCCOCCCCO

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006700 Edit

Molecule Structure InChIKey: KJEREJFAXOUTLJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)CCCCC(=O)OCCCCOCCCCOCCCCOCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1006700
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   32.7358    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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 O   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
    9.6995    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    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 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  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  2  0  0  0  0
 10  8  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
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 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
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006700-3D
FYIcenter.com

 72 71  0  0  0  0  0  0  0  0999 V2000
   15.6939    9.0516    3.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6478    8.4850    3.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6052    7.1689    3.5721 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3105    9.1547    3.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6687    9.3150    4.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3282   10.0613    4.5983 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    9.3703    3.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9430    7.9928    4.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9268    7.6962    5.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870    7.1208    3.2402 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9859    5.7285    3.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4768    5.4545    3.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8905    4.0317    3.7673 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3931    3.8148    3.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1296    4.6573    4.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5451    4.4914    4.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3072    5.3928    5.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8123    5.3055    5.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5179    6.3185    5.9241 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9204    6.1454    5.7742 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6469    7.0654    6.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1346    6.8427    6.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5310    7.0955    4.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0237    6.8968    4.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.5400    1.4196    4.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7861    0.5547    3.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4479   10.1423    2.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7807    5.6997    2.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3402    3.3216    3.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6287    3.8365    4.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6749    4.0440    2.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6396    2.7685    3.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7977    4.7466    3.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8152    3.4452    4.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0384    5.1388    6.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0075    6.4363    5.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0770    5.5004    3.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1707    4.2935    5.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2399    7.3391    5.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4038    6.8920    7.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
 30 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1980👍, 0💬