Molecule FYI-1001655

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Molecule Summary:

ID: FYI-1001655
SMILES: C=1C=C(C=CC1C(=O)OCCO)C(=O)[O-]

Received at FYIcenter.com on: 2022-10-24

Molecule ID: FYI-1001655 Edit

Molecule Structure SMILES String: C=1C=C(C=CC1C(=O)OCCO)C(=O)[O-]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001655
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9050    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001655-3D
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4438   -0.1893   -0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.2754    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248   -1.0812    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    0.2344    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453    1.3249   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    1.1126   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8293    2.2745   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4762    3.2938   -0.8965 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0822    2.0200    0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    2.8397   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.2662    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204    4.2671    1.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7734   -2.2661    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0179   -2.0092    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495   -3.4244    0.0894 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5114   -0.3828   -0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581   -2.2917    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934    0.3963    0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551    2.3290   -0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0295    2.8369   -1.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0637    2.3395   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072    4.7983   -0.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9441    4.8321   -0.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    3.7637    1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 2184👍, 0💬