Molecule FYI-1014525

A

Molecule Summary:

ID: FYI-1014525
Names:
InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
SMILES: CC/C=C\\C\\C=C/C/C=C\\C\\C=C/C/C=C\\C\\C=C/CCC(=O)O

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014525 Edit

Molecule Structure InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N

Molecule Structure SMILES String: CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014525
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  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  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014525-3D
FYIcenter.com

 56 55  0     0  0  0  0  0  0999 V2000
   -3.3950   -1.4509    1.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390   -2.6325   -0.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7398   -0.4666   -1.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4045    1.6390   -1.8489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3045    2.0927    0.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.8212    2.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313   -0.3955   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    0.7361   -2.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5361   -1.9697    0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6605    1.6347   -2.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252    2.9370   -1.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    3.1408    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073    2.2749    2.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566   -1.2961   -1.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361    1.7077    3.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833   -0.5459    3.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8719   -1.7274    2.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5575   -2.8527    0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3205   -2.5714   -0.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7293   -1.0331   -2.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    0.2468   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6771   -0.3455   -1.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0409   -1.6102    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.6667   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259   -0.6269   -1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8406   -1.3560   -2.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    1.5382   -2.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    0.7764   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3881    2.2227    0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1040    1.0647    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249    1.2766    2.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9208    0.7810    1.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8726   -0.3089   -1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8763    0.4970   -0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4939    0.8763   -3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304   -2.4877    0.9195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906   -1.0423    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    2.4382   -3.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285    3.7618   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    4.1336    0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6699    2.9204    3.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966   -0.4449   -0.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709   -1.3921   -2.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799    1.9131    4.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3264   -0.5740    4.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9411   -2.6167    3.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6570   -3.8513    0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -3.3763   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9611   -1.4350   -3.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8204   -0.3651    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    0.2543    0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6408   -0.1943   -1.9316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561    1.7006   -0.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6162    2.3108   -0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525    2.0933    0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -2.2480    1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 56  1  0  0  0  0
  2 23  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 23  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  2  0  0  0  0
  8 35  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 15  2  0  0  0  0
 13 41  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  2  0  0  0  0
 16 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  2  0  0  0  0
 18 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1572👍, 0💬