Molecule FYI-1016350

Home > Molecule

A

Molecule Summary:

ID: FYI-1016350
Names:
InChIKey: BWSZXUOMATYHHI-UHFFFAOYSA-N
SMILES: CCCCCCCC(=O)OOC(C)(C)C

Received at FYIcenter.com on: 2025-12-08

Molecule ID: FYI-1016350 Edit

Molecule Structure InChIKey: BWSZXUOMATYHHI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCC(=O)OOC(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016350
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 C   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  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016350-3D
FYIcenter.com

 39 38  0     0  0  0  0  0  0999 V2000
    3.4265    0.5958    0.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2609   -0.2804    0.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677    1.7548   -0.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9374    0.3744   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231   -0.4114   -0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1812   -0.5171   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3791    0.4808   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4588    0.3157    0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831   -0.3309    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5503   -0.2731    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7001   -0.5617    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1598    0.5316    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4910   -1.1421   -1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049    0.5975    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5016   -1.1340    1.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9774    1.0529   -0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9457    1.0037    0.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5890   -1.0095   -1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -1.1179    0.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1265   -1.2217    0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2054   -1.1118   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    1.1107    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724    1.1625   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5091    1.0360   -0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4462    0.8910    1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0427   -0.9771   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615   -0.9586    0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6013    0.0537    0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6965   -1.2743    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7599   -1.1255   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845   -0.5223   -2.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991   -1.7459   -1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6403   -1.8324   -1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271    1.2569    0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8201    1.2510   -0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7179   -0.0069   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6482   -1.8210    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088   -1.7402    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4063   -0.5082    2.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 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
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 853👍, 0💬