Molecule FYI-1004688

A

Molecule Summary:

ID: FYI-1004688
Names:
InChIKey: OSGJRHOJQRWCCW-KQWYESAVSA-N
SMILES: CC/C=C/CC/C=C/C(=O)NCc1ccc(P)c(OC)c1

Received at FYIcenter.com on: 2023-09-22

Molecule ID: FYI-1004688 Edit

Molecule Structure InChIKey: OSGJRHOJQRWCCW-KQWYESAVSA-N

Molecule Structure SMILES String: CC/C=C/CC/C=C/C(=O)NCc1ccc(P)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004688
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004688-3D
FYIcenter.com

 45 45  0  0  0  0  0  0  0  0999 V2000
    4.5656   -0.8498    2.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285   -0.9484    1.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1517   -1.9121    0.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -1.5746   -0.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656   -2.5530   -1.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3404   -2.1343   -2.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768   -3.1075   -3.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1846   -3.3581   -3.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6197   -4.3431   -4.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157   -4.9303   -5.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9804   -4.5110   -4.6012 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5721   -5.4162   -5.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8124   -6.7976   -5.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8524   -7.8101   -5.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0668   -9.0835   -4.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2160   -9.3599   -3.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4074  -11.0171   -3.0973 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.1849   -8.3480   -3.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2696   -8.6641   -2.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2593   -7.6677   -2.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9939   -7.0963   -4.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1675   -0.1441    3.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575   -0.4990    2.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6839   -1.8209    3.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4939    0.0501    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6427   -1.2873    1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838   -2.9421    0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -0.5504   -1.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388   -2.6069   -2.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288   -3.5587   -1.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459   -2.0404   -1.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566   -1.1472   -2.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1428   -3.6267   -3.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -2.8449   -2.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5940   -3.9732   -4.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5328   -4.9714   -5.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513   -5.4649   -6.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9246   -7.6110   -5.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3136   -9.8514   -4.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939  -11.5136   -3.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2440  -10.6153   -1.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9828   -8.0590   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8340   -6.7530   -2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7911   -7.4626   -3.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7536   -6.3255   -4.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-25, 1966👍, 0💬