Molecule FYI-1004082

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A

Molecule Summary:

ID: FYI-1004082
Names:
InChIKey: KQPYUDDGWXQXHS-UHFFFAOYSA-N
SMILES: O=c1ccc(=O)c2c(O)cccc12

Received at FYIcenter.com on: 2023-08-10

Molecule ID: FYI-1004082 Edit

Molecule Structure InChIKey: KQPYUDDGWXQXHS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ccc(=O)c2c(O)cccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004082
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
  7 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004082-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    2.5775    1.3510   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3558    2.7113   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5651   -1.7631    0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3759    0.3349    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936   -0.8315   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7726    0.2507    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737    1.6605    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334   -2.0825   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8679   -0.7561   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3941   -0.9985    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6264   -2.1622   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    1.6995    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4850    0.5861    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434   -3.0034   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778   -1.0832    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -3.1332   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254    2.6746    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5683    0.6380    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5091    1.0725   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
$$$$

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2023-09-05, 1447👍, 0💬