Molecule FYI-1002106

A

Molecule Summary:

ID: FYI-1002106
Names:
InChIKey: GYZYORPUWBEIGU-UHFFFAOYSA-N
SMILES: C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(COC(=O)C=C)c1=O

Received at FYIcenter.com on: 2023-01-30

Molecule ID: FYI-1002106 Edit

Molecule Structure InChIKey: GYZYORPUWBEIGU-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(COC(=O)C=C)c1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002106
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    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  2  0  0  0  0
  5  3  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  2  0  0  0  0
 11  9  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 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  2  0  0  0  0
 28 21  1  0  0  0  0
 28  8  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002106-3D
FYIcenter.com

 48 48  0  0  0  0  0  0  0  0999 V2000
    3.9577    2.9231   -0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9275    1.6839   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6857    1.3771    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3513    2.1808    1.6106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343    0.0613    1.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211   -0.3758    2.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6978   -0.6663    2.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4139   -1.1130    3.3574 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4224   -2.4591    3.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8924   -3.2821    2.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0504   -2.8247    4.8196 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0343   -4.2389    5.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2688   -5.0203    4.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3100   -5.1538    3.3119 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4855   -6.1141    2.8189 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569   -6.8428    3.4772 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6214   -6.1573    1.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8685   -7.0040    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7279   -1.9342    5.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4200   -2.3378    6.5672 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5847   -0.5997    5.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    0.4124    6.1124 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2989    0.1263    7.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1322    0.3419    8.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942    0.7489    7.6646 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3206   -0.0220    9.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3293    0.1236   10.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0038   -0.1578    4.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426    1.0267    3.8204 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070    3.1739   -1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    3.7161   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551    0.8891   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7194   -1.2881    2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039    0.3587    3.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    0.2233    1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7629   -1.4289    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192   -4.6987    4.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9790   -4.2938    6.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2823   -6.0150    5.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1933   -4.5218    5.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3372   -5.4922    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1477   -7.6610    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9498   -7.0547   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8591    1.4151    5.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    0.4428    5.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2879   -0.4170    9.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3562    0.5136   10.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4624   -0.1516   11.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
$$$$

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2023-09-10, 637👍, 0💬