Molecule FYI-1016340

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A

Molecule Summary:

ID: FYI-1016340
Names:
InChIKey: ZEQDDKKNYZGDPD-UHFFFAOYSA-N
SMILES: CN(C)CC(C)(C)C(C)(O)c1ccccc1

Received at FYIcenter.com on: 2025-12-08

Molecule ID: FYI-1016340 Edit

Molecule Structure InChIKey: ZEQDDKKNYZGDPD-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CC(C)(C)C(C)(O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016340
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.1498    0.8876    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
    5.5498    0.8876    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
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    4.0124    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016340-3D
FYIcenter.com

 39 39  0     1  0  0  0  0  0999 V2000
    0.5709    0.5434   -1.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1367    0.2158   -0.3956 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591   -0.3195    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0797   -0.4236   -0.5203 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4544   -0.6810    0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948    1.1191    1.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3930   -1.2594    1.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4070   -0.0955   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2330   -1.7845   -1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2835   -1.1368   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849    1.2228   -0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391   -0.1709   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319    1.6013    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -0.8397    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1320    1.5199   -0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0547    0.4886    0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -1.7127    0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898   -0.6827    1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0349    1.1988    1.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    1.3010    2.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7706    1.9482    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -1.0118    2.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -1.1882    2.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176   -2.3065    1.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4416   -1.8569   -2.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0560   -2.6459   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389   -1.8911   -1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    0.4929   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -2.1802   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    2.0463   -0.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185   -1.2088   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0961   -0.0753    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0343    0.4430   -1.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8541    2.1637   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2358    1.7687    1.1188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    2.1388   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486   -1.6420    0.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4636    2.5540   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1034    0.7200    0.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 28  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 29  1  0  0  0  0
 11 15  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
$$$$

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2025-12-09, 136👍, 0💬