Molecule FYI-1007108

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Molecule Summary:

ID: FYI-1007108
Names:
InChIKey: JELKTTPLDWFYNC-UHFFFAOYSA-N
SMILES: CCCCc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2024-01-30

Molecule ID: FYI-1007108 Edit

Molecule Structure InChIKey: JELKTTPLDWFYNC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007108
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2124    2.8000    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  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  7  1  0  0  0  0
 13 12  2  0  0  0  0
 13  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007108-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
   -2.5870   -1.4987   -0.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071    0.8884    0.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8999    0.3714   -0.9198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7664   -0.1487    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4551    0.5059   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2346   -0.2466   -0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4049   -0.5684   -0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0086    1.7022    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075   -0.7242    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7420   -0.4435   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284    1.8271    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038    0.7542    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989   -2.4191    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9774   -0.3004   -1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2740    1.3440   -1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -1.1345    0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751    0.5189    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377   -0.9390   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5927    0.7328   -0.5229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -1.5031   -1.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    2.5426    0.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7954   -1.7156    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528   -0.0334    1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1525   -0.7885    0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748    2.7656    0.8313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6441    1.7827    0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0690   -1.9146    1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319   -2.8896    0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4131   -3.1970    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1016👍, 0💬