Molecule FYI-1002194

A

Molecule Summary:

ID: FYI-1002194
Names:
InChIKey: ZAHBAFVWKWYECX-VVJWNWSFSA-N
SMILES: O=C2c1ccccc1C(=O)C27C(c4ccc3ccccc3c4)C(N(=O)=O)C(c5ccccc5)C6CCCCC67O

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002194 Edit

Molecule Structure InChIKey: ZAHBAFVWKWYECX-VVJWNWSFSA-N

Molecule Structure SMILES String: O=C2c1ccccc1C(=O)C27C(c4ccc3ccccc3c4)C(N(=O)=O)C(c5ccccc5)C6CCCCC67O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002194
FYIcenter.com

 41 47  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 13  1  0  0  0  0
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  8 26  1  0  0  0  0
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 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
  3 39  1  0  0  0  0
  2 36  1  0  0  0  0
  9 40  1  0  0  0  0
 10 41  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002194-3D
FYIcenter.com

 69 75  0  0  1  0  0  0  0  0999 V2000
    1.1106    0.4518    0.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    0.2371    0.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    1.2665    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0305    2.6129   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0962    3.4257   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579    2.8568   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5824    1.4779   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3932   -1.5099    0.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 57  1  0  0  0  0
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 38 67  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-28, 1909👍, 0💬