Molecule FYI-1007171

A

Molecule Summary:

ID: FYI-1007171
Names:
InChIKey: GMAZIMXJRBOIAG-JXMROGBWSA-N
SMILES: O=C(O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007171 Edit

Molecule Structure InChIKey: GMAZIMXJRBOIAG-JXMROGBWSA-N

Molecule Structure SMILES String: O=C(O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007171
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007171-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
    4.4324    2.6210    0.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9855   -1.0696    0.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1129    0.7021   -0.7100 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275   -0.5106   -0.2971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4051   -0.7495   -0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2829    0.3058    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    0.7407   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191    1.6609    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424    1.8149    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9307   -2.0280   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6606    0.0897    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536    0.8829   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652   -0.1451    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -0.1621    0.1279 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -2.2470   -0.3384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1688   -1.1911   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8467    0.8069   -0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191   -1.0797    0.8107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9741   -0.1107   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2408    0.8241   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3132   -1.0628    0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4275   -0.0928   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4351   -1.2721   -0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.8043    0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2739   -2.8623   -0.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465    0.8995    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3376    1.8558   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3071   -1.0967    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7081   -3.2429   -0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385   -1.3677    0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3218    1.5424   -1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4245   -1.8302    1.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7373    1.5707   -1.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8447   -1.8082    1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9655   -1.0492    0.6687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 22  1  0  0  0  0
  2 35  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 24  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 16  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 1821👍, 0💬