Molecule FYI-1003292

A

Molecule Summary:

ID: FYI-1003292
Names:
InChIKey: VLRMZSVODBTYSV-UHFFFAOYSA-N
SMILES: COc3cccc(c2ncc(c1c(OC)cccc1OC)o2)c3OC

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

Molecule ID: FYI-1003292 Edit

Molecule Structure InChIKey: VLRMZSVODBTYSV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cccc(c2ncc(c1c(OC)cccc1OC)o2)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003292
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
    3.4124    7.6143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7440    7.1817    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
    1.9139    3.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    2.0653    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
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003292-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
    0.2842   -0.2910    0.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336   -2.3089   -0.0190 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5314    2.1875    0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8103    1.8737   -0.3722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2977    0.7739   -0.8270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936    1.3804    1.5678 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445   -0.0469    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854    0.4078    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538   -0.1955    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7405    0.3526    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8311   -1.3976   -0.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6836    0.8611   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0521    0.5785   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9698    1.4208    1.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3169   -1.5175    0.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3134    0.0303   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -1.8405   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9093    0.4183   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5781   -2.0657    0.7014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -0.9325   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5764   -1.2918    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257   -3.6645   -0.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6539    3.0321   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149    2.0992   -1.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5575    0.1362   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5609    2.1685    1.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2792   -2.8716   -0.9560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    1.0605   -0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0505   -1.2773   -1.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5309   -1.7842   -0.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9205   -4.0740    0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -3.7851   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2229   -4.2473   -0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183    3.0589   -1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5045    2.7696    0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554    4.0491    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0453    1.7714   -2.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.4766   -0.7057   -1.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0223   -0.1501   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5 16  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 21  2  0  0  0  0
 17 20  2  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 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, 2031👍, 0💬