Molecule FYI-1006449

A

Molecule Summary:

ID: FYI-1006449
Names:
InChIKey: CTMBRFPMUJCIBA-NOUQSPALSA-M
SMILES: CO/[N+](=C\\c2ccc1ccccc1c2)c3ccccc3[S+](Cc4ccccc4)[Ru]Cl

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006449 Edit

Molecule Structure InChIKey: CTMBRFPMUJCIBA-NOUQSPALSA-M

Molecule Structure SMILES String: CO/[N+](=C\c2ccc1ccccc1c2)c3ccccc3[S+](Cc4ccccc4)[Ru]Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006449
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.1555    4.1103    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    2.3775   12.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350   10.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2050    9.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   10.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   11.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6901   12.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    8.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797    8.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8224   10.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4072    6.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4773    5.7470    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0324    4.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    4.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579    1.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530    2.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373    6.0658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    5.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.4274    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.6580    1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0336    1.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5113    0.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7849    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3072    2.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9316    2.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4607    4.6167    0.0000 Cl  0  0  0  0  0  0  0  0  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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  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
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
  1 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 22 23  1  0  0  0  0
  1 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006449-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.2706   -2.0622   -1.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -2.0567   -0.9344 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0708   -1.0286   -0.3593 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4963    0.0093    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    0.3699    0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    1.7537    0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4972    2.2519    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5806    1.3757    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8886    1.8773    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9731    1.0013    0.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7609   -0.3786    0.5012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4579   -0.8928    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559   -0.0211    0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0356   -0.5181    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.0613   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2323   -0.6389    0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193   -0.7037    0.8157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3348   -1.1754   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6698   -1.5796   -1.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2697   -1.5236   -1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5082   -2.1716   -3.0530 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.7695   -0.6710   -3.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1271   -1.0268   -5.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -1.0131   -5.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1731   -1.3273   -6.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084   -1.6504   -7.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3928   -1.6766   -7.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9465   -1.3712   -6.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4883   -2.6763   -4.5107 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   -3.1749   -5.9509 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4809   -2.4926   -2.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8589   -1.0475   -1.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5398   -2.7470   -1.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    0.8091    0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111    2.4687    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479    3.3248    0.4725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0677    2.9461    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9796    1.3954    0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6080   -1.0510    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -1.9661    0.5767 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266   -1.5808    0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149   -0.2972    1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1362   -0.4001    1.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4149   -1.2408   -0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2539   -1.9592   -2.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    0.1570   -3.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606   -0.3440   -3.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484   -0.7678   -4.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0973   -1.3188   -6.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866   -1.8844   -8.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390   -1.9264   -8.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0188   -1.3914   -6.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 1934👍, 0💬