Molecule Editor

Molecule ID: FYI-1016783 Edit

Molecule Structure InChIKey: QNODIIQQMGDSEF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ccccc1)C2(O)CCCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016783
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016783-3D
FYIcenter.com

 31 32  0     0  0  0  0  0  0999 V2000
   -0.5568    1.4812    1.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215    0.8633   -1.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1632    0.6008    0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3039   -0.7776    1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.1705    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1125   -1.7498    0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3148    0.1867   -0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -1.1638   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1783    0.5672   -0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310    0.1686   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -1.1627   -0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1411    1.1461    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -1.5358   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4602    0.7732    0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350   -0.5679    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198   -0.6534    2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3401   -1.2192    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3836    2.1127   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    1.4351    0.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652   -2.6836    0.8785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536   -2.0069   -0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464    0.0429   -1.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091    0.6058   -0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9925   -1.8610   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0852   -1.0459    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900    2.3840    1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8491   -1.9223   -0.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    2.1921    0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834   -2.5794   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957    1.5270    0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8623   -0.8581    0.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 26  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 14  2  0  0  0  0
 12 28  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$