Molecule FYI-1003156

A

Molecule Summary:

ID: FYI-1003156
Names:
InChIKey: XZXMCSKHRCMHIR-UHFFFAOYSA-N
SMILES: O=S(=O)(c1ccc(O)cc1)c4ccc(Oc3ccc(S(=O)(=O)c2ccc(O)cc2)cc3)cc4

Received at FYIcenter.com on: 2023-05-17

Molecule ID: FYI-1003156 Edit

Molecule Structure InChIKey: XZXMCSKHRCMHIR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(c1ccc(O)cc1)c4ccc(Oc3ccc(S(=O)(=O)c2ccc(O)cc2)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003156
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.9497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   11.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  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 14  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 29 23  1  0  0  0  0
 30 19  1  0  0  0  0
 31 30  2  0  0  0  0
 31 16  1  0  0  0  0
 32 14  1  0  0  0  0
 33 32  2  0  0  0  0
 33 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003156-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    4.8312   -0.4096   -1.4528 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8374   -0.4052    1.4502 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -3.4565   -0.0050 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6071    0.2638   -2.7253 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9525   -1.3273   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9364   -1.3521    1.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5889    0.2332    2.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5483    3.9364    2.4678 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5472    3.9516   -2.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3991   -1.3118   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3851   -1.3224    1.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0465    0.8969   -0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0473    0.8849    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589   -0.9395   -1.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1661   -0.9397    1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4950   -2.4046   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5045   -2.3993    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1301   -2.7406   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209   -2.7518    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147   -1.6601   -1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230   -1.6612    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -3.1254    0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616   -3.1210   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962    0.6586    0.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8006    0.6703   -0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4598    2.1238   -0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4618    2.1300    0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9656    1.6865    1.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9684    1.7008   -1.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    3.1518    0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6296    3.1605   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3821    2.9331    1.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3829    2.9458   -1.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614   -0.0911   -2.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707   -0.0926    2.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4481   -2.7088    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4586   -2.6971   -0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0646   -1.3640   -1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734   -1.3642    1.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264   -3.9746    0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4433   -3.9682   -0.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2515   -0.3070    1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2603   -0.2932   -1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    2.3119   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8640    2.3187    1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518    1.5097    2.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5550    1.5272   -2.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1679    4.1179    0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1669    4.1254   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0777    4.7267    2.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0753    4.7403   -2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 32  1  0  0  0  0
  8 50  1  0  0  0  0
  9 33  1  0  0  0  0
  9 51  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 25  2  0  0  0  0
 13 27  1  0  0  0  0
 14 20  1  0  0  0  0
 14 34  1  0  0  0  0
 15 21  1  0  0  0  0
 15 35  1  0  0  0  0
 16 22  2  0  0  0  0
 16 36  1  0  0  0  0
 17 23  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 28  1  0  0  0  0
 24 42  1  0  0  0  0
 25 29  1  0  0  0  0
 25 43  1  0  0  0  0
 26 30  2  0  0  0  0
 26 44  1  0  0  0  0
 27 31  2  0  0  0  0
 27 45  1  0  0  0  0
 28 32  2  0  0  0  0
 28 46  1  0  0  0  0
 29 33  2  0  0  0  0
 29 47  1  0  0  0  0
 30 32  1  0  0  0  0
 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2117👍, 0💬