Molecule FYI-1014425

A

Molecule Summary:

ID: FYI-1014425
Names:
InChIKey: SXNICUVVDOTUPD-UHFFFAOYSA-N
SMILES: Cc2cc(C)c(C(=O)[P+](=O)c1ccccc1)c(C)c2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014425 Edit

Molecule Structure InChIKey: SXNICUVVDOTUPD-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014425
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3003    0.0000 C   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 11 13  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014425-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.1860    1.9658    0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001    0.9330   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986   -0.4258   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874   -1.4138   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877   -2.8340   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9814   -1.0216   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.0103    0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0805   -1.7657    0.7226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -3.6127   -0.8565 P   0  3  3  0  0  0  0  0  0  0  0  0
   -2.9837   -4.4408   -0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1640   -3.3874   -2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8099   -2.4631   -3.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5255   -2.3917   -4.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6007   -3.2457   -4.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9704   -4.1680   -3.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2568   -4.2377   -2.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853    0.3680   -0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6712    0.9669   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    1.3154   -0.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1793    1.5111   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    2.5024    0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0806    2.6809   -0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460   -0.7272   -0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809   -2.8743    0.0745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6452   -3.3879   -0.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -3.3327    0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9584   -1.7987   -3.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2278   -1.6825   -5.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1438   -3.2022   -5.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8018   -4.8466   -3.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5554   -4.9899   -1.8613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806    0.2599   -0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7554    1.7264   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401    1.4582    0.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4792    2.3792   -0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  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 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  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 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
$$$$

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2025-04-26, 951👍, 0💬