Molecule FYI-1007015

A

Molecule Summary:

ID: FYI-1007015
Names:
InChIKey: HUZJLWLCLJEXEL-UHFFFAOYSA-N
SMILES: C/C(C)=C\\2CC1C(CCC(C)=O)C1(C)CC2=O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007015 Edit

Molecule Structure InChIKey: HUZJLWLCLJEXEL-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\2CC1C(CCC(C)=O)C1(C)CC2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007015
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2000    5.0373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5899    2.6474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8124    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0249    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4497    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    5.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007015-3D
FYIcenter.com

 39 40  0     1  0  0  0  0  0999 V2000
    3.1677   -0.9405    1.6236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8844    0.4248   -0.7705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041   -1.4735   -0.2013 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2586   -0.6047   -1.3958 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6570   -0.1169   -0.3001 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0810   -1.7434    0.7933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6322   -0.0423   -1.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1121    0.0025   -0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8893   -2.6635   -0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909    0.2000   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885   -0.8276    0.7686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986    0.5518    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    1.3007   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3778    0.7265    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748    2.3831   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8237    1.5236    1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2122    1.2992    1.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1885   -0.8696   -2.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2953    0.6918    0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -2.7562    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6516   -1.6911    1.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040    0.8675   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110   -0.7412   -2.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5823   -0.9199   -0.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264    0.7109   -1.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2992   -3.5868   -0.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6135   -2.7656    0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4311   -2.6302   -1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7994   -0.1303    1.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4966    1.5279    0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    3.1611   -0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    2.8506   -1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    2.0211   -2.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7402    0.9289    1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1309    2.5736    1.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1769    1.3560    2.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8492    2.2983    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1553    0.6442    2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2556    1.3725    1.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1152👍, 0💬