Molecule FYI-1015674

Home > Molecule

A

Molecule Summary:

ID: FYI-1015674
Names:
InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCO

Received at FYIcenter.com on: 2025-09-24

Molecule ID: FYI-1015674 Edit

Molecule Structure InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015674
FYIcenter.com

 51 50  0  0  0  0  0  0  0  0999 V2000
   20.6117    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3992    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1868    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9117    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8241    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3117    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6992    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0992    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8868    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4868    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2743    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6743    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4619    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0619    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8494    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2494    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0370    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6370    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6121    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2121    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.1248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015674-3D
FYIcenter.com

 51 50  0     0  0  0  0  0  0999 V2000
   10.0552   -0.4067   -0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337   -0.3800    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301    0.4825    0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286    0.4372    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251   -0.3373    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933   -0.4239    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8256    0.4694    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517    0.4435    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140   -0.3550   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1188   -0.4135    0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4176    0.4492   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3759    0.4510   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6724   -0.4264   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6443   -0.4067   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9397    0.4235   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9118    0.4353   -0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1889   -0.4420   -0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279   -0.9852    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0178   -1.0812   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407    1.1557    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    1.1170   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3666    1.1075    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073    1.0757   -0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5540   -0.9694    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4949   -1.0208   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -1.0498    1.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554   -1.0992   -0.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8795    1.1202    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7808    1.1341   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    1.0527   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8776    1.1352    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0754   -0.9775   -0.9255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1364   -1.0471    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1604   -1.0053    0.9447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0849   -1.1215   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4224    1.1009   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4398    1.1061    0.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4026    1.1710    0.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3450    1.0283   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7014   -1.0316    0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6291   -1.1216   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709   -1.0105    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6341   -1.1240   -0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0004    1.1041    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9030    1.0425   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9295    1.0195   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724    1.1218    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1741   -1.1104   -1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2733   -1.0531    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0828    0.1857   -0.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8359    0.1705   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 51  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 149👍, 0💬