Molecule FYI-1003297

A

Molecule Summary:

ID: FYI-1003297
Names:
InChIKey: VEVPAWVGLHYFFE-UHFFFAOYSA-N
SMILES: COCOc1ccccc1c3cnc(c2cccc(OC)c2OC)o3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003297 Edit

Molecule Structure InChIKey: VEVPAWVGLHYFFE-UHFFFAOYSA-N

Molecule Structure SMILES String: COCOc1ccccc1c3cnc(c2cccc(OC)c2OC)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003297
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8273    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2599    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1273    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9946    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4273    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6631    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6502    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3720    6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    7.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6227    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2959    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0424    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    3.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    1.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0806    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    7.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    8.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    9.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527   11.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003297-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
    0.6852    0.3208    0.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9410    1.8588   -0.7513 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3196   -1.3237   -0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181    0.3482   -0.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079   -3.0058   -0.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178    2.3430    0.2033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695    0.2812    0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0153    0.7821    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6536    1.2622    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4665    1.0465    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8761    0.7049   -0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3065   -0.4921   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6197   -0.9001    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0328   -0.0527    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    2.4876    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0453    1.6110    0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7765   -1.6577    1.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9830   -1.2339    0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6277   -0.9374   -0.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3664    1.1657    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6577   -0.1085    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741   -2.5795   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116    1.7523   -2.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3517   -0.4848   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2643   -3.1881   -1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6972   -1.2505    1.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930    3.4581   -0.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8435    2.6066    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7370   -2.5763    2.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8398   -1.8728    1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715   -1.9240   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1686    1.8107    0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866   -0.4544   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5080   -2.5055    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -3.3398   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7309    2.7588   -2.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344    1.3049   -2.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007    1.1585   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2055   -0.0151   -0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5983   -0.5396    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2256   -1.4750   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7506   -3.5809   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089   -2.2346   -1.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593   -3.9080   -1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 23  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 24  1  0  0  0  0
  5 22  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 19  2  0  0  0  0
 13 17  2  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 21  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2990👍, 0💬