Molecule FYI-1002677

Home > Molecule

A

Molecule Summary:

ID: FYI-1002677
Names:
InChIKey: MAWOHFOSAIXURX-UHFFFAOYSA-N
SMILES: C2CCC(C1CCCC1)C2

Received at FYIcenter.com on: 2023-04-17

Molecule ID: FYI-1002677 Edit

Molecule Structure InChIKey: MAWOHFOSAIXURX-UHFFFAOYSA-N

Molecule Structure SMILES String: C2CCC(C1CCCC1)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002677
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    5.6440    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5747    3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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
  5  1  1  0  0  0  0
  6  4  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
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002677-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
   -0.7078   -0.0123    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078   -0.0123   -0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5302    1.1890   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455   -1.1868   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    1.1890    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -1.1867    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9742    0.7699    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9818   -0.7597    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741    0.7698   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.7597   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6852   -0.0294    1.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6851   -0.0294   -1.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873    1.3781   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733    2.1054    0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952   -2.1254    0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4116   -1.3372   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3872    1.3781    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733    2.1054   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2952   -2.1252   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118   -1.3370    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6498    1.1871   -0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3089    1.1336    1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3052   -1.1370    1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6726   -1.1576   -0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6497    1.1870    0.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089    1.1337   -1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051   -1.1370   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725   -1.1576    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-25, 1781👍, 0💬