Molecule FYI-1004251

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A

Molecule Summary:

ID: FYI-1004251
Names:
InChIKey: CQMZFCUNKAAWKF-UHFFFAOYSA-N
SMILES: Cc3cc2oc1ccccc1c(=O)c2c(C)c3Cl

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004251 Edit

Molecule Structure InChIKey: CQMZFCUNKAAWKF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc2oc1ccccc1c(=O)c2c(C)c3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004251
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004251-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    4.5453    0.9577   -0.0005 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536   -1.6345    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593    2.4557    0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5656    0.4205    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4475   -0.9690    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    1.0260   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6600    1.2337    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9361    0.5021    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.1602    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981   -1.7603    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088   -0.8922    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9707    0.2302   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9852    2.5161   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1533    1.1884   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0594   -2.0504   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084   -1.6068   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486    0.4689   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3264   -0.9259   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5011   -2.8436    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    2.9443    0.8987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0087    2.8929   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268    2.9441   -0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    2.2740   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826   -3.1106    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665   -1.8784   -0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6671   -1.8780    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027   -2.6936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2985    0.9957   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2589   -1.4830   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 16  2  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1543👍, 0💬