Molecule FYI-1006719

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A

Molecule Summary:

ID: FYI-1006719
Names:
InChIKey: RPHLQSHHTJORHI-UHFFFAOYSA-N
SMILES: CN2CC(O)c1cc(=O)c(=O)cc12

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006719 Edit

Molecule Structure InChIKey: RPHLQSHHTJORHI-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2CC(O)c1cc(=O)c(=O)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006719
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.7388    6.0868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    3.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    1.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822    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  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006719-3D
FYIcenter.com

 22 23  0     1  0  0  0  0  0999 V2000
    2.0855   -1.9958    0.9714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500   -1.1927   -0.2158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9706    1.4390    0.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8115    0.9869   -0.0509 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.7507   -1.3643   -0.2602 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6589   -0.1366   -0.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615   -0.7916   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4748    0.6446    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7940   -1.4544   -0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6025    1.4225    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    2.3235   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0442   -0.6813   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    0.8003    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662   -2.0874   -1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5675   -0.1843    0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9346   -0.0231   -1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8488   -2.5250   -0.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5395    2.4952    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852    2.8172   -1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4429    2.3016    0.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9116    2.9279    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981   -2.3223    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 22  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1305👍, 0💬