Molecule FYI-1001541

Home > Molecule

A

Molecule Summary:

ID: FYI-1001541
SMILES: CC1CCC2C1C3C(C3(C)C)CCC2=C

Received at FYIcenter.com on: 2022-08-31

Molecule ID: FYI-1001541 Edit

Molecule Structure SMILES String: CC1CCC2C1C3C(C3(C)C)CCC2=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001541
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.7542    5.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    4.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629    5.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    2.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955    3.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4768    2.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4559    0.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787    1.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8805    0.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9014    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3484    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9883    0.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    1.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001541-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.3964   -0.6580   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    0.3558    0.2772 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0781    1.7577   -0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603    2.5304    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4993    1.5905   -0.4237 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8249    0.1760   -0.4880 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5646   -1.0926   -0.1424 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0339   -1.3477    0.1035 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4407   -1.7503   -1.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663   -1.0148   -2.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -3.2418   -1.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0700   -0.3354    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0081    1.0212   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8363    1.8340    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800    2.7998    1.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4356   -0.3207    0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6155   -1.6308    0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2795   -0.7913   -1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707    0.3415    1.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    2.1630    0.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8007    1.7755   -1.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    2.7396    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    3.4859   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816    1.8699   -1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.0459   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9054   -1.7719    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390   -2.1903    0.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6678    0.0692   -2.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8529   -1.2576   -3.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6074   -1.3201   -3.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3492   -3.8220   -0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1188   -3.5935   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3558   -3.4615   -1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525   -0.7824    0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0566   -0.1980    1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0274    0.9688   -1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9397    1.5446    0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.9538    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    3.4954    1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 925👍, 0💬