Molecule FYI-1007315

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A

Molecule Summary:

ID: FYI-1007315
Names:
InChIKey: OLBNOBQOQZRLMP-UHFFFAOYSA-N
SMILES: COc1cc(=O)cc(OC)c1=O

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007315 Edit

Molecule Structure InChIKey: OLBNOBQOQZRLMP-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(=O)cc(OC)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007315
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   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
    2.4249    4.9000    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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007315-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.4608    0.8285   -0.3275 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    0.8393   -0.3276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056    2.1210   -0.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092   -3.1614    0.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2699    0.1384   -0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2680    0.1429   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027    0.9034   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2585   -1.1885   -0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2658   -1.1818   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060   -1.9451    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947    1.2453    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.2581    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812   -1.7550   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918   -1.7429   -0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1012    0.3873    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8263    1.8062    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625    1.9079    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0991    0.4011    1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    1.9165    1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159    1.8241    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2024-03-07, 206👍, 0💬