Molecule FYI-1001443

Home > Molecule

A

Molecule Summary:

ID: FYI-1001443
SMILES: C1OCC(S1)C1COCC1C1COCS1

Received at FYIcenter.com on: 2022-07-27

Molecule ID: FYI-1001443 Edit

Molecule Structure SMILES String: C1OCC(S1)C1COCC1C1COCS1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001443
FYIcenter.com

 15 17  0  0  0  0  0  0  0  0999 V2000
    5.6440    5.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    6.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5746    6.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7072    4.4215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1793    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4793    2.2529    0.0000 S   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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001443-3D
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   -1.3817    1.1483   -1.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    1.3279   -0.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1388    0.2192    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2665   -1.0698   -0.1808 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6659   -0.6214   -1.2670 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -2.3869    0.5756 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8669   -2.2688    2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5133   -3.5090    2.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0277   -4.4031    1.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942   -3.5364    0.5329 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0054   -3.2971    0.7072 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4827   -2.2798    1.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656   -1.9986    1.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -1.7557    0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8239   -2.7617   -0.8221 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443    1.6485   -2.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2302    1.6041   -0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9345    0.3381    1.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8175    0.2858    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5798   -1.1644   -0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -2.8460    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9359   -2.0852    2.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3064   -1.4900    2.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8714   -5.0198    1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7202   -5.0690    2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -4.1068   -0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871   -4.2560    0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3967   -2.6692    2.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -1.3389    1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -1.9957   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -0.6962   -0.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  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  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 827👍, 0💬