Molecule FYI-1014555

A

Molecule Summary:

ID: FYI-1014555
Names:
InChIKey: FCVJYKICQNLXAX-XPTLAUCJSA-N
SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC

Received at FYIcenter.com on: 2025-04-28

Molecule ID: FYI-1014555 Edit

Molecule Structure InChIKey: FCVJYKICQNLXAX-XPTLAUCJSA-N

Molecule Structure SMILES String: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(O)(O)=S)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014555
FYIcenter.com

 30 29  0  0  1  0  0  0  0  0999 V2000
   15.7616   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    9.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.3363   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7363    7.8876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014555-3D
FYIcenter.com

 73 72  0  0  1  0  0  0  0  0999 V2000
    4.3438   13.1016    2.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168   12.1815    3.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2228   11.4769    2.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2044   10.5494    3.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0930    9.8583    2.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776    8.9313    2.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9638    8.2462    1.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9318    7.3263    2.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    6.6385    1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8246    5.7936    2.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0052    5.4189    3.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8147    3.9197    3.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8032    3.0297    2.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2434    3.3988    3.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2380    2.5655    2.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6539    2.9858    2.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6744    2.1637    2.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0552    2.6992    2.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3703    3.6292    3.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9095    2.0637    1.4884 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9239    2.9203    0.9571 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3316    2.6902    1.5370 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.7222    1.2116    1.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0528    0.9903    1.9102 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5035   -0.6742    1.7718 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.1630   -0.2231    0.3441 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7821   -0.1844    2.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9979   -2.4997    1.6201 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.3280    3.4279    0.7964 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1058    4.8428    0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957   13.6042    3.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   12.5366    2.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802   13.8663    2.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7584   11.4407    4.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9213   12.7641    4.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7782   12.2198    1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6158   10.8975    1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6586    9.7983    3.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8222   11.1210    3.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6414   10.6098    1.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4769    9.2878    1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    8.1781    3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6956    9.5013    3.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5213    8.9941    1.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3574    7.6694    1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3561    6.5754    3.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5054    7.9205    3.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8236    6.8383    0.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5043    5.3498    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3013    5.9459    4.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9926    5.7564    3.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930    3.6285    3.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9148    3.7285    4.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6314    3.1006    1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6190    1.9836    3.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4142    3.2734    4.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4382    4.4498    3.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0826    2.7196    1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0904    1.4996    2.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8017    2.8743    3.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7851    4.0568    2.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4689    2.2381    1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6345    1.1157    2.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6194    3.9677    1.0516 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.9507    2.7340   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3802    2.9923    2.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6851    0.8967    0.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0374    0.5843    2.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9214    0.7089    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8846    0.7477    2.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9149    5.3291    0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1136    5.2057    1.8670 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1734    5.1235    0.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 10  2  0  0  0  0
  9 48  1  0  0  0  0
 10 11  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 50  1  0  0  0  0
 11 51  1  0  0  0  0
 12 13  1  0  0  0  0
 12 52  1  0  0  0  0
 12 53  1  0  0  0  0
 13 14  1  0  0  0  0
 13 54  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 16  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 22 66  1  1  0  0  0
 23 24  1  0  0  0  0
 23 67  1  0  0  0  0
 23 68  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 69  1  0  0  0  0
 27 70  1  0  0  0  0
 29 30  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1082👍, 0💬