Molecule FYI-1001912

Home > Molecule

A

Molecule Summary:

ID: FYI-1001912
SMILES: C#CCOC1C2=CC=CC=C2CCC2=C1C=CC=C2

Received at FYIcenter.com on: 2022-12-30

Molecule ID: FYI-1001912 Edit

Molecule Structure SMILES String: C#CCOC1C2=CC=CC=C2CCC2=C1C=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001912
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    8.3706    5.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7332    4.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  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  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001912-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.0998    0.0422    0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031    0.0300    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9224    0.0158    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4250    1.2223   -0.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8630    1.2297   -0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3196    2.5516   -1.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8286    3.5199   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3081    4.7508   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    5.0439   -1.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    4.1145   -2.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637    2.8632   -2.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7600    1.9608   -3.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0712    0.6365   -3.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876   -0.3073   -2.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262    0.0137   -1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2899   -0.8666   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6797   -2.0635   -1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -2.3921   -2.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3816   -1.5159   -3.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    0.0600    0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899   -0.8625   -0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3001   -0.1177    1.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2046    1.1888    0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8601    3.3144    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7027    5.4732    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6610    5.9954   -2.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7506    4.3654   -3.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166    1.7427   -4.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0463    2.5462   -4.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7527    0.1718   -4.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    0.7956   -2.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6312   -0.6408    0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276   -2.7526   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5070   -3.3360   -2.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0237   -1.7940   -4.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-08, 1415👍, 0💬