Molecule FYI-1014447

A

Molecule Summary:

ID: FYI-1014447
Names:
InChIKey: JZDGWLGMEGSUGH-UHFFFAOYSA-N
SMILES: Cc2cc(C)c(C(=O)P(=O)(O)c1ccccc1)c(C)c2

Received at FYIcenter.com on: 2025-04-17

Molecule ID: FYI-1014447 Edit

Molecule Structure InChIKey: JZDGWLGMEGSUGH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C)c(C(=O)P(=O)(O)c1ccccc1)c(C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014447
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.6100    0.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6100    2.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    2.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273    2.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273    0.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    4.1272    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    5.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339    5.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1747    4.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    3.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7842    2.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874    5.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2467    5.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9780    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714    2.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969    3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283    6.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  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
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014447-3D
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
    1.7954   -1.4378   -0.2845 P   0  0  1  0  0  0  0  0  0  0  0  0
    2.7068   -2.1301    0.8707 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591   -1.9648   -1.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016   -2.9287    0.5739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0532   -0.8589    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -0.3367   -1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -0.4975    1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686   -1.7834    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980    0.9084   -0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    0.5470   -1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8627    0.3861    1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9600    0.2942   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173   -0.7051   -2.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4557   -1.0408    2.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3445    1.8533   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273    0.8189    1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3231    1.1401   -1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8578    2.1896    1.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536    2.5107   -0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    3.0355    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.9570   -2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4424    0.6673    1.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -0.5221   -3.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753   -1.7719   -2.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2909   -0.1083   -2.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437   -2.0596    2.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3786   -1.0493    2.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9008   -0.4324    3.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677    1.2990   -0.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4762    2.4433    0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1809    2.5630   -1.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4641    0.1687    2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147    0.7426   -2.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6666   -3.1039    0.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808    2.5974    2.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7381    3.1691   -1.6419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    4.1025    0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 34  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  2  0  0  0  0
  7 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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2025-04-26, 177👍, 0💬