Molecule FYI-1003521

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A

Molecule Summary:

ID: FYI-1003521
Names:
InChIKey: UHQCFCZBVFECRZ-UHFFFAOYSA-N
SMILES: CCCCCCC(C)OC(=O)CC#N

Received at FYIcenter.com on: 2023-06-26

Molecule ID: FYI-1003521 Edit

Molecule Structure InChIKey: UHQCFCZBVFECRZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCC(C)OC(=O)CC#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003521
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    0.0000    0.0000    0.0000 N   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  7  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  1  0  0  0  0
 14 13  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003521-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
    1.1619    0.1199   -0.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283    0.3413    1.2988 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6222   -1.5120    0.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    0.3189    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8451    1.4444   -0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645    0.4395   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -0.6435    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812    1.3619    0.2199 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5515   -0.4802   -0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4453    2.4964   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4627   -1.5353    0.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422   -0.1003    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1571   -0.9764   -0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5333   -1.2744   -0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    0.3580    1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3267   -0.6574   -0.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176    1.3740   -1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844    2.4158   -0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430    0.3931   -1.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675    1.4244   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5374    1.4130    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7335   -1.6286   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944   -0.6230    1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9236    0.5146   -0.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5867   -0.5541   -1.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    3.4661   -0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149    2.3861   -1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306    2.5305    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4741   -1.4619    1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4879   -1.4033   -0.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1335   -2.5428    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1672   -0.4594   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -1.9110   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  3  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
$$$$

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2023-07-05, 1754👍, 0💬