Molecule FYI-1014590

A

Molecule Summary:

ID: FYI-1014590
Names:
InChIKey: FFPFBRPOWQJOTI-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1cc(O)c(B(O)O)c2oc(=O)ccc12

Received at FYIcenter.com on: 2025-05-01

Molecule ID: FYI-1014590 Edit

Molecule Structure InChIKey: FFPFBRPOWQJOTI-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1cc(O)c(B(O)O)c2oc(=O)ccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1014590
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    5.3621    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   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  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 10  2  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014590-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.3309    0.1647    1.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371   -0.0235   -0.0180 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    0.1706    0.0799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768    1.2508   -0.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1733   -1.5435   -0.8814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9170   -1.4490   -2.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5903   -2.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9893   -2.4492   -3.9237 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8624   -3.8686   -2.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -5.1691   -3.1946 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888   -6.4784   -2.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334   -5.0636   -4.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1235   -3.9756   -1.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -5.1739   -0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653   -5.3485    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638   -6.4738    0.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6964   -4.2514    1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0555   -2.9763    0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -2.8103   -0.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1833    1.1584    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3593   -0.0151    1.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -0.4761   -2.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2842   -1.5866   -4.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -6.7788   -2.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3983   -4.7629   -5.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399   -4.3809    2.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635   -2.1352    1.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  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 19  2  0  0  0  0
  6  7  2  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 890👍, 0💬