Molecule FYI-1007701

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A

Molecule Summary:

ID: FYI-1007701
Names:
InChIKey: AFLFNFIJYCRIOK-UHFFFAOYSA-N
SMILES: CCCCCCCCCOC(=O)C1CCCCC1C(=O)O

Received at FYIcenter.com on: 2024-03-13

Molecule ID: FYI-1007701 Edit

Molecule Structure InChIKey: AFLFNFIJYCRIOK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCOC(=O)C1CCCCC1C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007701
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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  2  0  0  0  0
 13 11  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
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007701-3D
FYIcenter.com

 51 51  0     1  0  0  0  0  0999 V2000
    0.7390   -1.2422    0.2994 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    0.8824    2.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6571   -2.0485   -0.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    2.3715    1.2817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960    0.1982    0.1733 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1020    0.0970    0.4563 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2504    1.1911   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    0.0140   -0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0989    0.9939   -2.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861    1.0404   -1.8715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322   -1.1610   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318    1.2510    1.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -2.4799    0.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415   -2.4224    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1753   -1.3333   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6080   -1.3123    0.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4318   -0.2048   -0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8680   -0.1173    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7358    0.9885   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1388    1.0626    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9271    2.2310   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.5310    1.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776   -0.8109    1.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808    2.2184   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1919    1.0980   -1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799   -0.9881   -1.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0231    0.1440   -0.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8581    1.7747   -2.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8529    0.0350   -2.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665    0.8542   -2.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    2.0461   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193   -3.3991    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092   -2.2183    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1928   -1.5077   -1.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123   -0.3526    0.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284   -3.2820    0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662   -2.6920   -1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0861   -2.2825    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5906   -1.1564    1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4587   -0.3684   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9369    0.7607   -0.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3630   -1.0825    0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8313    0.0269    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8114    0.8303   -1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2294    1.9511   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8377    1.6239    2.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6765    0.1280    0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0702    1.1756    1.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9282    2.2644    0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0367    2.1361   -1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4299    3.1826   -0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 46  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  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
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
M  END
$$$$

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2024-03-23, 167👍, 0💬