Molecule FYI-1007254

A

Molecule Summary:

ID: FYI-1007254
Names: KETOPROFENO;
InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N
SMILES: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007254 Edit

Molecule Names: KETOPROFENO;

Molecule Structure InChIKey: DKYWVDODHFEZIM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007254
FYIcenter.com

 33 34  0     1  0  0  0  0  0999 V2000
    2.0000   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.4031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 33  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007254-3D
FYIcenter.com

 33 34  0     1  0  0  0  0  0999 V2000
    4.2053   -2.4798    0.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6049    1.7490    1.7885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1006   -2.1844   -0.4982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3677   -0.2163    0.2004 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1962    0.6219   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    0.4537    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.2422    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    1.5737   -1.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8094   -0.0360    1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    2.1893   -0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    2.3574   -1.5601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3982    1.0621    0.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1365   -1.7109   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4077    0.1271    0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1688   -0.6431   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -0.0003    0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1371   -1.5403   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -0.8977    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438   -1.6676   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2204    0.0558   -0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -0.2823    1.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2689    1.7180   -1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    1.0252    1.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0696   -0.4438    2.3649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -0.5452    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452    2.8013   -1.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    3.0986   -2.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438   -0.5766   -1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8257    0.5876    1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -2.1403   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5228   -0.9972    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0976   -2.3663   -0.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0358   -3.4322    0.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 33  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  2  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 186👍, 0💬