Molecule FYI-1012685

A

Molecule Summary:

ID: FYI-1012685
Names:
InChIKey: SYVJYKHMOIOZPC-UHFFFAOYSA-N
SMILES: Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OP(O)O

Received at FYIcenter.com on: 2024-10-10

Molecule ID: FYI-1012685 Edit

Molecule Structure InChIKey: SYVJYKHMOIOZPC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1OP(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012685
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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    5.6000    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
    4.8499    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    4.7124    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
    1.9125    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012685-3D
FYIcenter.com

 44 44  0     0  0  0  0  0  0999 V2000
    3.1754    1.3722    0.5725 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1484    0.5978   -0.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4084    1.5402   -0.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363    0.0868    1.3809 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -2.0034   -0.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4973    0.1689    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002   -0.7604   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    0.2852    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -0.8652   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956    0.4950   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3765    1.5407   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2282   -3.2045   -0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -2.4006    1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3425   -1.9204   -1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.6455   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9492    0.9199    1.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0038   -1.2859    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1932    0.7895   -1.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259    2.9986   -0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6423   -1.8338    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9807    2.4438   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8766   -4.0780   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -3.5507   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2025   -2.9576   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1305   -3.2822    1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -1.5913    1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105   -2.6418    1.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -2.9275   -1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1763   -1.4222   -1.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786   -1.4549   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0302    0.8215    1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481    0.5238    2.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7301    1.9921    1.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0958   -1.3107    0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7584   -1.8824   -0.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941   -1.7870    1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2827    0.6881   -1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9778    1.8586   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8705    0.2976   -1.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077    3.3527    0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091    3.0214   -1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1211    3.7304   -0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2092    1.8547    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5067    0.3397    1.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2 10  1  0  0  0  0
  3 43  1  0  0  0  0
  4 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
$$$$

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2024-11-23, 208👍, 0💬