Molecule FYI-1001533

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Molecule Summary:

ID: FYI-1001533
SMILES: CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

Received at FYIcenter.com on: 2022-08-30

Molecule ID: FYI-1001533 Edit

Molecule Structure SMILES String: CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001533
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.6702    5.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    5.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    3.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785    4.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7874    5.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559    6.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4155    5.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7066    4.0548    0.0000 C   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  2  2  0  0  0  0
  5  2  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  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001533-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.0586    0.6411    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.1418   -0.0092 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -0.6209    1.0783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493    1.3009   -0.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270   -0.9870   -1.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -2.3496   -1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1084   -3.2312   -2.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1702   -2.7550   -3.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778   -1.3908   -3.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525   -0.5044   -2.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4392   -3.6720   -4.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5605   -4.3746   -5.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3588   -5.1691   -6.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214   -5.9584   -7.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6798   -4.8879   -6.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8220   -3.9278   -5.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086   -4.4104   -5.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3343   -3.4804   -5.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -3.5532   -5.8646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850   -4.5497   -5.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0804   -5.4665   -4.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4740   -5.3970   -4.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607    1.3518    1.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560    1.1216   -0.3642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6178   -0.2357    0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227   -2.7349   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -4.2935   -1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -1.0088   -4.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900    0.5514   -2.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2993   -3.0315   -5.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4505   -4.3522   -4.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8070   -2.7069   -6.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571   -2.8409   -6.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7699   -4.6161   -5.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4082   -6.2448   -3.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573   -6.1291   -3.8835 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 320👍, 0💬