Molecule FYI-1007002

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Molecule Summary:

ID: FYI-1007002
Names:
InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N
SMILES: C=CC(C)(O)CC/C=C(C)/CC/C=C(C)\\C

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007002 Edit

Molecule Structure InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007002
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007002-3D
FYIcenter.com

 42 41  0     1  0  0  0  0  0999 V2000
    2.9783   -1.9351   -0.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420   -0.7057    0.0094 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3353   -0.3860    0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    0.9412    0.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478    1.1625    1.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2561    1.7747    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7364    1.9944    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4581   -0.9412    1.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    0.3553   -0.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5797    0.8643   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7020    2.3256   -1.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855   -0.4438    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8006   -1.5677   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160    1.0804   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4126   -1.7126   -1.5749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -2.8063    0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -0.3880   -0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8485   -1.2140    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505    0.9314    1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126    1.7865    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.7810    1.9354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376    2.9531   -0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9426    2.0835    1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4891   -1.3068    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4668   -0.0414    2.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -1.7236    1.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1384    0.5355   -1.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6395    1.0961   -0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4472    0.8259   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    1.9879   -2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284    3.4201   -1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    2.0190   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260   -2.1422   -0.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5275   -0.4649    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1017    0.9748    0.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    1.8107   -1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -2.0723   -1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0654   -2.4412   -2.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.7835   -2.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880   -2.6647    1.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344   -3.0934    0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1808   -3.6361    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  2  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  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
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1483👍, 0💬