Molecule FYI-1015042

Home > Molecule

A

Molecule Summary:

ID: FYI-1015042
Names:
InChIKey: NJGCRMAPOWGWMW-UHFFFAOYSA-N
SMILES: CCCCCCCCP(=O)(O)O

Received at FYIcenter.com on: 2025-06-18

Molecule ID: FYI-1015042 Edit

Molecule Structure InChIKey: NJGCRMAPOWGWMW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015042
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   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
  6  5  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  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015042-3D
FYIcenter.com

 31 30  0     0  0  0  0  0  0999 V2000
    3.8722   -0.1547    0.0587 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    1.0319   -0.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -0.7786   -1.4254 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386   -1.1221    1.1775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415   -0.2688   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225    0.6508    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457    0.5251    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0805   -0.1482    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9645   -0.3901   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3089    0.7493    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2672    0.4074    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4820   -0.5020   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077   -1.0107    0.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106   -0.8201   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439    1.3754   -0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631    1.2219    1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    1.0596    1.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7702    1.2814   -0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113   -0.8659    0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173   -0.7377   -0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142   -0.9403   -0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -1.1336    0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2890    1.3343    1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2968    1.4607   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3158    0.9738    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2958    1.1341   -0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5007   -1.2193    0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4022    0.0891   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4806   -1.0616   -1.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9118    0.8068   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116   -1.3505   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1 10  1  0  0  0  0
  2 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 732👍, 0💬