Molecule FYI-1004363

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A

Molecule Summary:

ID: FYI-1004363
Names:
InChIKey: GVBGXLDOTOMGAA-NXVVXOECSA-N
SMILES: OC/C(=C(CI)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-09-02

Molecule ID: FYI-1004363 Edit

Molecule Structure InChIKey: GVBGXLDOTOMGAA-NXVVXOECSA-N

Molecule Structure SMILES String: OC/C(=C(CI)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004363
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 10 11  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004363-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.1507   -0.0729   -1.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7715    0.0019   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766   -1.3400    0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556   -2.2154    1.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -2.2426    1.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813   -0.7887    0.1953 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.5433   -3.4696    1.7021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836   -3.4950    3.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1917   -4.6761    3.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3554   -5.8396    2.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121   -5.8251    1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7076   -4.6444    0.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4435   -1.6220    0.6624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1029   -2.3161   -0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830   -2.5205   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -2.0272    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5688   -1.3441    1.8002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859   -1.1419    1.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8823    0.7655   -1.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7524    0.3647   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722    0.7735    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2401   -2.2766    2.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1985   -3.1990    0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524   -2.5957    3.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816   -4.6882    4.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749   -6.7584    3.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -6.7331    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -4.6444   -0.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386   -2.6755   -1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9846   -3.0467   -1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2935   -2.1746    0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437   -0.9571    2.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971   -0.5981    2.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2035👍, 0💬