Molecule FYI-1012963

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A

Molecule Summary:

ID: FYI-1012963
Names:
InChIKey: ZFCGQHMBBSIYKG-UHFFFAOYSA-N
SMILES: O=C2COC(c1ccccc1)CN2C(CO)c3ccccc3

Received at FYIcenter.com on: 2024-11-01

Molecule ID: FYI-1012963 Edit

Molecule Structure InChIKey: ZFCGQHMBBSIYKG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2COC(c1ccccc1)CN2C(CO)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012963
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012963-3D
FYIcenter.com

 41 43  0     1  0  0  0  0  0999 V2000
    0.6146   -2.9086    0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0233    1.1391   -1.1506 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301   -0.8881    1.8514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7007   -0.3964   -0.0733 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0432   -0.9909   -1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865    1.0428   -0.0407 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1114   -2.1346   -0.8007 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2595   -1.2388    0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838   -2.7004    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5612    1.7557    0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2703   -1.6221   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    1.5053   -1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0337    1.9671    1.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1325    2.2013   -1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551   -1.2452    0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -1.5279   -1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    2.6242    1.5439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3539    2.8583   -0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258   -0.7740    1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5268   -1.0568   -1.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8817    3.0697    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8117   -0.6799    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -1.4024   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080   -0.2603   -1.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5052    1.2903    0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.8303   -1.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6129   -3.0471   -0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2300   -3.2913    1.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    1.0894   -2.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345    2.5986   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5629    1.6216    2.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2381    2.0541   -2.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030   -1.3020    1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0459   -1.8156   -2.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841    1.4663   -1.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998    2.7866    2.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8957    3.2033   -1.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -0.4776    2.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2940   -0.9820   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8336    3.5794    0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8005   -0.3114    0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 12  1  0  0  0  0
  2 35  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 17  1  0  0  0  0
 13 31  1  0  0  0  0
 14 18  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 16 20  2  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
$$$$

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2024-11-23, 1205👍, 0💬