Molecule FYI-1004362

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A

Molecule Summary:

ID: FYI-1004362
Names:
InChIKey: CZWGNDVYPNMHCT-YPKPFQOOSA-N
SMILES: O/C(=C(I)/c1ccccc1)c2ccccc2

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004362 Edit

Molecule Structure InChIKey: CZWGNDVYPNMHCT-YPKPFQOOSA-N

Molecule Structure SMILES String: O/C(=C(I)/c1ccccc1)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004362
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    4.8497    2.8000    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
    3.6372    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
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    6.2711    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  6  1  1  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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004362-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0576   -0.0746    0.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362    0.0373    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884    1.1615    0.3951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    2.8519    1.0414 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5574    1.2951    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1931    1.7859   -0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5811    1.9241   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429    1.5786    0.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7165    1.0997    1.4489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3284    0.9592    1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758   -1.2045   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4536   -2.1918    0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334   -3.4242    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0413   -3.6759   -1.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6889   -2.6886   -2.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2105   -1.4542   -1.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    0.7771    0.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6097    2.0669   -1.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0688    2.3016   -1.7127 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4244    1.6828    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116    0.8365    2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    0.5891    2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414   -2.0197    1.5432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2007   -4.1965    0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3865   -4.6448   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7649   -2.8864   -3.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9109   -0.7028   -2.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 2024👍, 0💬