Molecule FYI-1007982

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A

Molecule Summary:

ID: FYI-1007982
Names:
InChIKey: YEZYGNICXBBIGA-UHFFFAOYSA-N
SMILES: CC(C)CCC(CCC(C)C)(CC(C)C)C1CCCCC1

Received at FYIcenter.com on: 2024-03-23

Molecule ID: FYI-1007982 Edit

Molecule Structure InChIKey: YEZYGNICXBBIGA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCC(CCC(C)C)(CC(C)C)C1CCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007982
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    6.0252    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    3.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0252    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3879    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    0.0000    0.0000 C   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007982-3D
FYIcenter.com

 63 63  0  0  0  0  0  0  0  0999 V2000
    4.9445    0.6763   -1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3758   -0.6645   -1.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7395   -1.7607   -2.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8801   -1.0664    0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4626   -0.0737    1.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606   -0.3483    2.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4313    0.8948    3.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8935    1.0417    3.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687    2.1644    4.7617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    3.5468    4.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    2.1776    4.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2916   -1.7176    3.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4575   -2.3691    4.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0155   -1.5536    6.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333   -3.7241    4.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748   -0.4159    2.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2257   -0.6762    4.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512   -0.6867    4.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7743    0.8527    2.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2444    0.8231    2.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6893    0.8641   -2.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5030    1.2273    2.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6645    1.9545    5.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    3.7681    3.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780    3.6161    4.5272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.3256    4.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    2.4226    3.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4158    2.9184    5.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    1.1997    4.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8778    1.7414    2.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 61  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
M  END
$$$$

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2024-04-14, 139👍, 0💬