Molecule FYI-1005777

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A

Molecule Summary:

ID: FYI-1005777
Names:
InChIKey: WOZVHXUHUFLZGK-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(C(=O)OC)cc1

Received at FYIcenter.com on: 2023-11-14

Molecule ID: FYI-1005777 Edit

Molecule Structure InChIKey: WOZVHXUHUFLZGK-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1ccc(C(=O)OC)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005777
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005777-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
    3.5347    0.7895   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347   -0.7895   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3566   -1.4962   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565    1.4962   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -0.1884    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3822    0.1883    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542    1.1027    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278    1.2911    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5279   -1.2911    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -1.1028    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8229   -0.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8229    0.3848   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    0.6687   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9617   -0.6685   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851    1.9873    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9177    2.3057    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177   -2.3057    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4850   -1.9873   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    0.1447   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971    0.1451    0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878    1.6755   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3879   -1.6752   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2962   -0.1446   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2966   -0.1448    0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

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2023-11-18, 1652👍, 0💬