Molecule FYI-1008543

Home > Molecule

A

Molecule Summary:

ID: FYI-1008543
Names:
InChIKey: ULMHLCGGMJTYML-UHFFFAOYSA-N
SMILES: O=C(O)C2(c1nccs1)CC2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008543 Edit

Molecule Structure InChIKey: ULMHLCGGMJTYML-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C2(c1nccs1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008543
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.8249    3.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    5.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    2.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    0.6356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7727    2.2374    0.0000 S   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008543-3D
FYIcenter.com

 18 19  0     0  0  0  0  0  0999 V2000
    1.5765    0.0749   -1.4403 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -1.2901    1.1048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0135   -1.2366   -1.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -0.0750    1.1275 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479    0.4470    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3189    1.7069   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    1.5919    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619    0.1447    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6674   -0.7692   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -0.2774   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6444   -0.3172    0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2694    1.6967   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    2.3911   -1.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365    2.1849    1.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205    1.5123    1.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5261   -2.1009    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9395   -0.4340   -0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391   -0.5199    1.6298 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  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 944👍, 0💬