Molecule FYI-1007479

A

Molecule Summary:

ID: FYI-1007479
Names:
InChIKey: UTFOIVXUOOQAFX-UHFFFAOYSA-N
SMILES: CC2(C)C4C1C5(O[C+]12(C)C)C3=[C+2](=C=CC(N)O3)=[C+]6(C)CC45C6

Received at FYIcenter.com on: 2024-02-24

Molecule ID: FYI-1007479 Edit

Molecule Structure InChIKey: UTFOIVXUOOQAFX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)C4C1C5(O[C+]12(C)C)C3=[C+2](=C=CC(N)O3)=[C+]6(C)CC45C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007479
FYIcenter.com

 22 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  2  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  3  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
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
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 21 17  1  0  0  0  0
 20 12  1  0  0  0  0
 20 21  1  0  0  0  0
 22  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007479-3D
FYIcenter.com

 47 52  0  0  1  0  0  0  0  0999 V2000
    1.1283   -1.3881    2.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -1.5497    1.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -2.4254    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339   -0.6256    0.5277 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0188   -1.4079    1.0089 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7404   -0.1956    1.5098 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9328   -1.2810    2.4723 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293   -1.9520    2.3874 C   0  3  0  0  0  0  0  0  0  0  0  0
    4.0469   -3.4300    1.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -2.1092    3.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.9162    2.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2855    1.9790    1.7750 C   0  2  0  0  0  0  0  0  0  0  0  0
    2.8166    2.3893    2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411    2.4161    4.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991    1.7951    4.6179 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3780    2.7814    4.7205 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6491    0.9285    3.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    2.2386    0.3517 C   0  3  0  0  0  0  0  0  0  0  0  0
    2.7438    3.4963   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564    1.1640   -0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    0.3639    0.0794 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8757    2.0386    0.2058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809   -0.9985    2.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2442    2.7488    1.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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 22 47  1  0  0  0  0
M  END
$$$$

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2024-03-07, 141👍, 0💬