Molecule FYI-1004934

Home > Molecule

A

Molecule Summary:

ID: FYI-1004934
Names:
InChIKey: SJEYEFOHSMBQIX-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCS(=O)(=O)O

Received at FYIcenter.com on: 2023-10-02

Molecule ID: FYI-1004934 Edit

Molecule Structure InChIKey: SJEYEFOHSMBQIX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCS(=O)(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004934
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4002    0.0000 O   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004934-3D
FYIcenter.com

 39 38  0     0  0  0  0  0  0999 V2000
    5.6483    0.1973    0.0346 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6698   -1.0442    0.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6317    1.0562    1.2044 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9044    0.7265   -1.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140   -0.4972   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1441    0.4132   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816    0.3156   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4379   -0.4037   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.5982   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7030    0.4592   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    0.1666   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9952   -0.3549    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1532   -0.7412   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2246    0.5545    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5134   -0.2496    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -1.1069    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499   -1.1874   -0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209    1.0896    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234    1.0371   -0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4282    0.9899    0.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    0.9414   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605   -1.0750   -0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438   -1.0409    0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -1.2471   -0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696   -1.2562    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6582    1.1622    0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7205    1.0627   -0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    0.7952   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9380    0.8529    0.7759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9879   -0.9471    0.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0449   -1.0613   -0.7816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.4082   -0.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1199   -1.3447    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1889    1.2472    0.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2257    1.1603   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5953   -0.9286   -0.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5591   -0.8446    1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3791    0.4201    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7951   -1.6656   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 13  1  0  0  0  0
  2 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 1779👍, 0💬