Molecule FYI-1006921

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A

Molecule Summary:

ID: FYI-1006921
Names:
InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N
SMILES: C/C(C)=C\\CCC1(C)C2CC=C(C)C1C2

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006921 Edit

Molecule Structure InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N

Molecule Structure SMILES String: C/C(C)=C\CCC1(C)C2CC=C(C)C1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006921
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
    4.4562    5.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    5.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023    3.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7812    4.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    4.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407    5.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745    2.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    3.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407    7.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6270    1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8251    7.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8251    9.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0096    9.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6407    9.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0334    6.9172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019    3.0559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4220    4.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    3.1647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    6.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0083    5.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    4.6022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4312    5.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6263    3.5341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588    3.0617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    2.7310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    7.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    8.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925    1.4426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615    1.2884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0096    7.2508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934    8.8017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1940   10.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3257   11.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3245   11.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4562   10.6700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568    8.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006921-3D
FYIcenter.com

 39 40  0     1  0  0  0  0  0999 V2000
   -0.8734    0.9966    0.1389 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0594    1.1861   -0.8573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8684    0.0780    0.9226 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9606    1.0808    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2363   -0.0013   -1.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911    0.3507   -0.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080   -1.2808    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    2.2584    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1857   -1.2920   -1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2577   -0.2159    0.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -2.4923    1.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176   -0.8303    0.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844   -0.2146   -0.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122   -0.8899   -0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.2665    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1003    2.1505   -1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413    0.0445    2.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9624    0.6653    0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942    1.9907    1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627    0.0068   -2.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060    0.0738   -2.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -0.4565   -1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9609    1.0906   -0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0087    2.0308    1.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2559    2.8471    0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2930    2.9421    1.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960   -2.2260   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7191   -0.9920    1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5076    0.5380    1.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487   -2.4727    1.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -2.5372    1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0429   -3.4137    0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538   -1.8994   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7518   -1.9636   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523   -0.7658    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882   -0.4614   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    1.7800    0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.7479   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861    1.4507    0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

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2024-01-31, 264👍, 0💬