Molecule FYI-1007764

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A

Molecule Summary:

ID: FYI-1007764
Names:
InChIKey: LXAVZTSNLVAONG-UHFFFAOYSA-N
SMILES: O=C(O)c1ccc(C(=O)CCCO)cc1

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007764 Edit

Molecule Structure InChIKey: LXAVZTSNLVAONG-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007764
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   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
  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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007764-3D
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    1.0665    0.0184    0.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2751    0.0388   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899   -1.0150   -0.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084    1.2167    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027    2.0398    1.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514    3.1725    1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5983    3.4955    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3309    4.7494    1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2785    5.1979    2.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0939    5.4717    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    5.9365   -1.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1309    6.9308   -0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084    7.2807   -1.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046    2.6688   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535    1.5407   -0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545   -0.9409   -0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    1.8096    1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217    3.8150    2.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8933    4.8220   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942    6.3383    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6952    5.0898   -1.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    6.3990   -1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5853    7.8402   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824    6.4983    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8662    7.7336   -2.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8907    2.8942   -0.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5527    0.9519   -1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

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2024-03-23, 142👍, 0💬