Molecule FYI-1011552

A

Molecule Summary:

ID: FYI-1011552
Names:
InChIKey: LTGNOJYZNDHVPD-WLHGVMLRSA-N
SMILES: CC2C=C(c1ccccc1)C(C)CN2C.O=C(O)/C=C/C(=O)O

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011552 Edit

Molecule Structure InChIKey: LTGNOJYZNDHVPD-WLHGVMLRSA-N

Molecule Structure SMILES String: CC2C=C(c1ccccc1)C(C)CN2C.O=C(O)/C=C/C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011552
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    2.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019    1.3787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    1.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605    3.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    4.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    5.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    5.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    7.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    7.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1886    2.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8099    2.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0885    1.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011552-3D
FYIcenter.com

 46 46  0  0  1  0  0  0  0  0999 V2000
    1.6708    1.0178   -0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691    0.4601    0.3339 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3332    1.7380    0.9813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    1.7488    2.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609    2.9944    2.6678 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471    3.3811    3.7314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0314    4.4631    4.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2097    5.1454    4.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821    4.7843    3.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5941    3.7087    2.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322    0.5299    2.6648 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2539    0.3817    2.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1414   -0.7220    2.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7795   -0.6397    1.4492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5109   -2.1270    1.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5697   -2.1132   -1.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0737   -1.9896   -1.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1568   -2.2758   -2.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062   -1.8668   -2.3134 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823   -3.0620   -3.5004 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
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 23 46  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1038👍, 0💬