Molecule FYI-1013828

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A

Molecule Summary:

ID: FYI-1013828
Names:
InChIKey: CDFOQBLVJAZBIV-BLHCBFLLSA-N
SMILES: CCCCC/C=C/C=C/CCCCCCCC(=O)O

Received at FYIcenter.com on: 2025-01-30

Molecule ID: FYI-1013828 Edit

Molecule Structure InChIKey: CDFOQBLVJAZBIV-BLHCBFLLSA-N

Molecule Structure SMILES String: CCCCC/C=C/C=C/CCCCCCCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013828
FYIcenter.com

 19 18  0  0  0  0  0  0  0  0999 V2000
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013828-3D
FYIcenter.com

 49 48  0  0  0  0  0  0  0  0999 V2000
    0.9092   -1.4395    6.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   -1.4322    6.8662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696   -0.6760    5.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974   -0.6644    5.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0259    0.0914    4.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5253    0.1230    4.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2360    1.2582    4.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767    1.2722    4.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884    2.4072    4.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8874    2.4355    4.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    3.1080    5.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9425    3.1123    5.7835 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4782    3.7861    7.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    3.7933    7.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5190    4.4730    8.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    4.5037    8.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5202    5.1813    9.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8023    5.6467   10.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8718    5.2254    9.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5373   -1.9849    7.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -1.9244    5.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -0.4195    6.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956   -2.4652    6.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7935   -0.9674    7.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    0.3550    5.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994   -1.1423    4.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8739   -1.6952    5.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683   -0.1951    6.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169    1.1093    4.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846   -0.3967    3.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0308   -0.8395    4.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7236    2.2174    4.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    0.3123    4.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842    3.3713    4.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    2.9823    3.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2950    1.4196    4.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0404    2.5816    6.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0420    4.1385    5.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162    3.6370    4.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3131    2.0813    5.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1019    3.2611    7.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1046    4.8162    7.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3853    4.3197    6.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3824    2.7640    7.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1283    3.9473    9.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1305    5.4980    8.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4401    5.0550    7.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4381    3.4812    8.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3236    4.8174    8.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1174👍, 0💬