Molecule FYI-1005102

A

Molecule Summary:

ID: FYI-1005102
Names:
InChIKey: JYSLIDYLYGWFPZ-VQTJNVASSA-N
SMILES: C=C(C)[C@@H]1CCC(C)=C[C@H]1c2c(OCO)cc(CCCCC)cc2OCO

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005102 Edit

Molecule Structure InChIKey: JYSLIDYLYGWFPZ-VQTJNVASSA-N

Molecule Structure SMILES String: C=C(C)[C@@H]1CCC(C)=C[C@H]1c2c(OCO)cc(CCCCC)cc2OCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1005102
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
   12.1772    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595    5.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    5.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0886    5.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    5.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8709    3.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0886    4.2183    0.0000 C   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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  6  0  0  0
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 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 23  2  0  0  0  0
 27  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005102-3D
FYIcenter.com

 61 62  0  0  1  0  0  0  0  0999 V2000
    5.6231    2.4715   -0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    1.4422   -0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856    0.6340    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5365    0.9955   -0.2889 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5287   -0.4510   -0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1926   -0.5515   -2.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    0.5573   -3.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1038    0.3598   -4.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    1.6423   -2.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    1.8970   -1.2714 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1394    1.8472   -1.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0599   -0.6319   -3.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  6 37  1  0  0  0  0
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 20 21  1  0  0  0  0
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 26 27  1  0  0  0  0
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 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2069👍, 0💬