Molecule FYI-1010895

A

Molecule Summary:

ID: FYI-1010895
Names:
InChIKey: ZVQXBSZUHNRXLS-UHFFFAOYSA-N
SMILES: O=C(CCOCCOCCn1c(=O)c3cccc2cccc(c1=O)c23)NO

Received at FYIcenter.com on: 2024-07-17

Molecule ID: FYI-1010895 Edit

Molecule Structure InChIKey: ZVQXBSZUHNRXLS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCOCCOCCn1c(=O)c3cccc2cccc(c1=O)c23)NO

Download SDF Download SVG Structure in 2D SDF:

FYI-1010895
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16  3  1  0  0  0  0
 17 16  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  0  0  0  0
 26 25  2  0  0  0  0
 26 17  1  0  0  0  0
 26 21  1  0  0  0  0
 27 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010895-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.0271   -0.1968   -0.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488   -0.0737   -0.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701    0.9423    0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    1.7830    1.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    2.7273    2.2769 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8222    3.5371    3.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    4.5354    3.8863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7163    5.3394    4.6478 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    6.2934    5.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949    7.1138    6.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012    8.1252    7.1042 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    9.3876    6.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0886    9.6553    5.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6696   10.4469    7.5002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416   11.7747    7.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   12.7789    7.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585   12.4560    9.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100   11.1267    9.7106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632   10.7870   11.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7102    9.4626   11.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808    8.4643   10.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9119    8.7902    9.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    7.7333    8.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    6.5806    8.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9927   10.1086    8.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -0.8633   -0.9217 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5021   -1.8372   -1.7600 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5819    1.5918    0.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622    0.4220    1.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    1.1396    2.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    2.3212    0.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.9032    3.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1377    4.0767    2.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2219    5.1711    3.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963    3.9978    4.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0114    6.9486    4.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0906    5.7672    6.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7826    6.4385    6.8540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    7.5972    5.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4881   12.0312    6.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641   13.8135    7.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   13.2552    9.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876   11.5555   11.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924    9.2110   12.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241    7.4347   10.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0987   -0.7963   -0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5428   -1.7057   -1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

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2024-08-14, 2179👍, 0💬