Molecule FYI-1014529

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A

Molecule Summary:

ID: FYI-1014529
Names:
InChIKey: ACVWWIQVTSBHCF-UHFFFAOYSA-N
SMILES: c2ccc([Na]c1ccccc1)cc2

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014529 Edit

Molecule Structure InChIKey: ACVWWIQVTSBHCF-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc([Na]c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014529
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  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  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014529-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.4137   -0.0479    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7872    1.2025    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6048    1.2847    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3710    0.1170   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    0.2356   -0.3246 Na  0  0  0  0  0  0  0  0  0  0  0  0
    6.1741    0.3542   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7927   -0.5618   -1.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1797   -0.5318   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9555    0.3764   -0.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3380    1.2768   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9441    1.2843    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7464   -1.1335   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449   -1.2171    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4910   -0.1126    0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821    2.1066    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    2.2503   -0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1899   -1.2662   -2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6538   -1.2175   -2.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0311    0.3820   -1.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9402    1.9628    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4651    1.9669    0.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437   -2.0340   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1285   -2.1845    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  2  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1617👍, 0💬