Molecule FYI-1005728

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A

Molecule Summary:

ID: FYI-1005728
Names:
InChIKey: QWVUOVZJBNQSNS-AEMDVCDZSA-N
SMILES: CN1C2CC(CC1C(C2)O)O

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005728 Edit

Molecule Structure InChIKey: QWVUOVZJBNQSNS-AEMDVCDZSA-N

Molecule Structure SMILES String: CN1C2CC(CC1C(C2)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005728
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
    2.7882   -2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6769   -1.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1650    1.2287    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6872   -0.7199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4284    0.2461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2882   -1.2287    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0294   -0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9082   -1.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372   -1.0263    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6650    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072   -1.5409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084    1.0671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867   -1.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4354   -0.4405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    0.3258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140   -2.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4915   -2.0446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    0.5549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0759    0.0187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1907   -0.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1280    2.4047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    2.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2019    1.7847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1682   -2.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1519   -0.9698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  1  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  6  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005728-3D
FYIcenter.com

 26 27  0     1  0  0  0  0  0999 V2000
   -2.4236    1.4341    0.1828 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2146    0.3233   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5648   -0.9958   -0.6416 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4826    0.4541   -0.9160 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1601   -1.0894    0.7720 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0447    1.1267    0.3460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8802    0.0812    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    0.7523   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3725   -0.9266    0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359    0.3977    0.1666 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8881   -1.5575   -0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0203    0.7345   -1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.0516    1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5256    2.0609    0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8537   -0.2392    1.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3008    0.4779    2.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4131    0.2004   -1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    1.8131   -1.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464   -0.9886    1.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8387   -1.7669    0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7316    1.2038    0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1558   -1.4352   -1.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787   -2.6352   -0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6840   -1.1142   -0.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7385    1.8146    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042    0.0899    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 717👍, 0💬