Molecule FYI-1001101

Home > Molecule

A

Molecule Summary:

ID: FYI-1001101
SMILES: CCOP(=O)(C)SCCN(C(C)C)C(C)C

Received at FYIcenter.com on: 2021-12-30

Molecule ID: FYI-1001101 Edit

Molecule Structure SMILES String: CCOP(=O)(C)SCCN(C(C)C)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001101
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
    4.1825   -2.3919   -1.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309   -1.5453   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907   -0.5358   -0.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.5388    0.4244 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882   -0.1692    1.5126 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    1.5193    1.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.8279   -0.5799 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871    0.7078   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2298    0.3373    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3704   -0.4860   -0.2844 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0668   -1.0571    0.8762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3812   -2.3602    1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0206   -0.0632    2.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2946    0.2869   -1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2911   -0.6623   -1.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0525    1.2936   -0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2791   -2.8622   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6193   -1.7545   -2.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997   -3.1619   -1.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3942   -2.1827    0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344   -1.0750    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    1.9693    0.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583    2.3046    1.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3113    0.8702    1.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0170    1.2025   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.1959   -1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6184   -0.2243    0.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5953    1.2460    0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1048   -1.2605    0.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709   -2.1444    1.6395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9493   -2.8294    2.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3350   -3.0351    0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9825    0.1402    2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090    0.8652    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5373   -0.4869    2.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7303    0.8194   -1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9384   -1.1026   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8965   -0.1075   -2.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7483   -1.4530   -2.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3426    1.9698    0.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7383    1.8671   -0.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167    0.7610    0.5084 H   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  2  0  0  0  0
  4  6  1  0  0  0  0
  4  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
 11 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001101-3D
FYIcenter.com

 42 41  0  0  0  0  0  0  0  0999 V2000
    1.0910    0.3769   -1.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921    0.6140   -1.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    0.5012   -0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7679    0.7333   -0.0463 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.5879    2.2475    0.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6508   -0.0055    1.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8609    1.0178    0.1341 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3113    2.1845   -1.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7875    2.5832   -1.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    3.4838   -2.0481 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8599    4.8853   -2.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    5.8130   -3.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    5.0099   -2.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9019    3.4639   -1.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    3.9315   -0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5443    2.1157   -2.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6981    0.4488   -2.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762    1.1010   -0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567   -0.6185   -1.1496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    1.6128   -1.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0993   -0.1261   -2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -0.4293    1.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    0.7794    2.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869   -0.8067    1.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6491    3.0277   -1.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1078    1.7350   -2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3234    1.6269   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9450    2.9953   -0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0289    5.3110   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    5.3602   -4.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5748    6.0602   -2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0325    6.7739   -3.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    4.2578   -3.0159 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0807    5.9866   -2.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7779    4.9302   -1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3192    4.1393   -2.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1277    3.2764    0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1231    4.9526   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5371    3.9374   -0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    1.2763   -1.6851 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336    2.1689   -2.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3563    1.8790   -3.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-02-04, 2179👍, 0💬