Molecule FYI-1003044

Home > Molecule

A

Molecule Summary:

ID: FYI-1003044
Names:
InChIKey: BZRUKSJSJKNOKR-UHFFFAOYSA-N
SMILES: CCC(C)CCC1=CCC=CC1

Received at FYIcenter.com on: 2023-05-08

Molecule ID: FYI-1003044 Edit

Molecule Structure InChIKey: BZRUKSJSJKNOKR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)CCC1=CCC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003044
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    1.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742    1.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3114    1.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    4.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5045    3.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    2.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003044-3D
FYIcenter.com

 32 32  0  0  1  0  0  0  0  0999 V2000
    0.8869    0.0857    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.0578   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9007   -0.7326   -1.2518 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3632   -0.1375   -2.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4448   -0.7721   -1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0464   -1.5403   -2.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5505   -1.5530   -2.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2288   -2.5325   -1.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7245   -2.5819   -1.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4138   -1.4385   -2.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531   -0.4659   -2.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551   -0.4149   -3.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    0.6019    1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -0.9292    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141    0.6207   -0.7128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8202   -0.3909    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759    1.0888   -0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5324   -1.7631   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209    0.8877   -2.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2694   -0.1279   -2.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -0.7291   -3.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768   -1.2407   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    0.2535   -1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442   -1.0951   -3.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568   -2.5682   -2.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867   -3.3414   -1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0829   -3.5243   -2.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -2.5759   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4980   -1.4168   -2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3082    0.3331   -3.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9837   -0.4323   -4.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9099    0.5385   -2.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1632👍, 0💬