Molecule FYI-1016095

A

Molecule Summary:

ID: FYI-1016095
Names:
InChIKey: AOORIQJVYOMFKQ-CNQIHURISA-N
SMILES: CCC/C/3=C/C1C(=O)OC(CC)CC1/C(C)=C/C2OC(=O)C[C@@H](O)CC2/C=C3

Received at FYIcenter.com on: 2025-11-15

Molecule ID: FYI-1016095 Edit

Molecule Structure InChIKey: AOORIQJVYOMFKQ-CNQIHURISA-N

Molecule Structure SMILES String: CCC/C/3=C/C1C(=O)OC(CC)CC1/C(C)=C/C2OC(=O)C[C@@H](O)CC2/C=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016095
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162    3.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1685    2.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5645    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3532    4.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    5.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4210    1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6970    3.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8591    1.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    1.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7835    3.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1386    4.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7650    4.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    6.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783    5.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1193    0.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    1.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
  1 14  1  0  0  0  0
  6 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 12 15  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 16 18  1  0  0  0  0
 11 23  1  0  0  0  0
 14 24  1  0  0  0  0
 21 25  2  0  0  0  0
 19 26  1  1  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016095-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    8.7025   -3.0917   -9.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537   -3.2635   -8.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6826   -3.3443   -7.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3808   -2.0079   -6.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -1.9859   -7.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0505   -1.2293   -7.0781 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3660   -2.1448   -6.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8710   -2.7433   -7.8362 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0131   -2.1334   -5.6283 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2891   -1.9414   -4.3560 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7416   -0.9008   -3.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0485   -0.9516   -2.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254   -1.4123   -4.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2167   -0.3799   -5.8595 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7567    1.0362   -5.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560    2.0195   -5.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4813    1.3090   -5.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.5965   -4.7275 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2204    0.7341   -3.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1549    1.2055   -2.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    2.0375   -1.9592 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0816    0.4936   -1.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    0.6778   -2.3048 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8313    1.2252   -1.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5421    1.5916   -3.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2622    1.2239   -4.8829 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8968   -0.1562   -5.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3362   -1.2314   -6.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0738   -3.1561  -10.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4619   -3.8774  -10.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -2.1207   -9.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861   -4.1985   -8.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130   -2.4570   -8.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4169   -4.1548   -7.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0261   -3.7186   -6.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9885   -2.8339   -7.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2331   -0.6351   -7.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2418   -2.9277   -3.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9731   -0.9356   -2.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6804    0.1034   -3.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2052   -1.9070   -2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0121   -0.1772   -1.7660 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8923   -0.7019   -3.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3615   -1.0615   -3.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3653   -2.2972   -5.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2865   -0.1378   -5.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7123    1.8206   -5.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5183    1.9733   -3.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4612    3.0385   -5.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9337    0.7153   -6.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8475    2.6485   -4.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1080    0.8572   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3436   -0.5711   -1.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2865   -0.3089   -2.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    2.0640   -0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8542    2.6061   -3.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    1.7036   -3.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8481    1.9345   -5.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -0.2523   -5.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4190   -1.8315   -6.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  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 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 54  1  6  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 56  1  0  0  0  0
 25 57  1  0  0  0  0
 26 27  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  2  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 395👍, 0💬