Molecule FYI-1011589

A

Molecule Summary:

ID: FYI-1011589
Names:
InChIKey: NSBZPLSMZORBHY-UHFFFAOYSA-L
SMILES: Cc1ccc[cH-]1.Cc1ccc[cH-]1.[Cl-].[Cl-].[Ti+4]

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011589 Edit

Molecule Structure InChIKey: NSBZPLSMZORBHY-UHFFFAOYSA-L

Molecule Structure SMILES String: Cc1ccc[cH-]1.Cc1ccc[cH-]1.[Cl-].[Cl-].[Ti+4]

Download SDF Download SVG Structure in 2D SDF:

FYI-1011589
FYIcenter.com

 15 12  0  0  0  0  0  0  0  0999 V2000
    1.3831    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8745    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8112    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1112    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7419    2.0924    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.5521    8.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1734    7.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1663    8.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301    8.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    6.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596    6.7304    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4855    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.6597    4.4835    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.7419    4.4835    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011589-3D
FYIcenter.com

 29 26  0  0  0  0  0  0  0  0999 V2000
    1.8386    0.8729    1.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181    0.7168    1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196   -0.4698    1.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -0.1580    1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4798    1.2178    1.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    1.7613    1.3106 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.3752   -0.0901   -1.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643   -0.2024   -1.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -1.3706   -1.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276   -1.0470   -1.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199    0.3189   -1.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7422    0.8428   -1.9619 C   0  5  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.8889    3.8997 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.2359   -2.7790   -3.9106 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.7335   -2.4190    2.4714 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    1.3364   -0.1176    1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    1.4917    0.6378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768    1.3897    2.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6049   -1.4674    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1716   -0.8705    1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4062    1.7723    1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9736    2.8128    1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -1.0857   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287    0.3250   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    0.5798   -0.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997   -2.3628   -1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575   -1.7394   -1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9336    0.8780   -2.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    1.8869   -2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1202👍, 0💬