Molecule FYI-1002292

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A

Molecule Summary:

ID: FYI-1002292
Names:
InChIKey: SUUCXSVCZUFLQV-UHFFFAOYSA-N
SMILES: O=Cc3ccc2[nH]c1ccc(O)cc1c2c3

Received at FYIcenter.com on: 2023-02-21

Molecule ID: FYI-1002292 Edit

Molecule Structure InChIKey: SUUCXSVCZUFLQV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc3ccc2[nH]c1ccc(O)cc1c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002292
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8521    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6749    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3208    3.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    4.6769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1055    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    3.5443    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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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
 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 15  7  1  0  0  0  0
 16  5  1  0  0  0  0
 16  8  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002292-3D
FYIcenter.com

 25 27  0     0  0  0  0  0  0999 V2000
   -3.9703   -2.2140   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9287   -2.3706    0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    2.0592    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4692    0.0693    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477   -0.1327    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6935    1.4463    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5478    1.1268    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838   -0.7955    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7761   -1.2746   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    2.0042   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9362    1.3038    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8737   -0.2525   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0651    1.1270   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1662   -1.1136   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7356    0.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0260   -1.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6800    3.0597    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4256   -1.8706    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3338   -2.2673   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    3.0788   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3803    2.2936    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0694    1.5453   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8175    0.2679   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0203   -0.6624   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4136   -3.0116   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 25  1  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 18  1  0  0  0  0
  9 14  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 1261👍, 0💬