Molecule FYI-1006941

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A

Molecule Summary:

ID: FYI-1006941
Names:
InChIKey: IVWOUZKNCGFRBC-UHFFFAOYSA-N
SMILES: COc2cccc3oc1ccccc1c(=O)c23

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006941 Edit

Molecule Structure InChIKey: IVWOUZKNCGFRBC-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cccc3oc1ccccc1c(=O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006941
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.9300    3.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636    3.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    3.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    2.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    4.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    4.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858    6.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9300    6.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442    7.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714    7.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  2  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006941-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
   -0.7188    1.7627    0.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303   -1.6363   -0.3219 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1606   -2.2158   -0.2728 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634    0.0054   -0.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4761   -0.5529   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854    1.3415    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -1.0240   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7123    0.8156    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3135   -0.3456   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5653    2.3353    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5411   -1.4569   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2877    0.6516   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0243    1.2846    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    1.9895   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8497   -0.9822   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0910    0.3859    0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784   -2.3583    0.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858    3.3806    0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3737   -2.5256   -0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420    0.3948   -0.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2236    2.3483    0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6759    2.7635    0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6825   -1.6790   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1111    0.7521    0.1894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1488   -2.2573    1.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9043   -2.0028    1.3458 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0974   -3.4156    0.6306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$

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2024-01-31, 839👍, 0💬