Molecule FYI-1002393

A

Molecule Summary:

ID: FYI-1002393
Names:
InChIKey: DQWNMZJIYJIJEY-UHFFFAOYSA-N
SMILES: CCC1=[O+][Cu-3]2([O+]=C(CC)C1)[O+]=C(CC)CC(CC)=[O+]2

Received at FYIcenter.com on: 2023-03-13

Molecule ID: FYI-1002393 Edit

Molecule Structure InChIKey: DQWNMZJIYJIJEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC1=[O+][Cu-3]2([O+]=C(CC)C1)[O+]=C(CC)CC(CC)=[O+]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002393
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Cu  0  7  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  3  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
    4.8498    0.7000    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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   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
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    2.4249    3.5000    0.0000 O   0  3  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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 19  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002393-3D
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.0539    0.0034    0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5055   -0.4160    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9465    0.0453   -1.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    1.2464   -1.4062 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.4492    1.9708   -2.9785 Cu  0  7  3  0  0  0  0  0  0  0  0  0
    3.6699    0.5789   -4.1320 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.5958   -0.5786   -3.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7864   -1.6711   -4.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   -1.6280   -5.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3175   -0.9807   -2.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035    3.1923   -3.4865 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.4550    4.3881   -3.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465    5.3259   -3.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102    5.1376   -3.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8188    4.9767   -3.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0303    4.0885   -2.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3704    4.7252   -2.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3864    4.2711   -3.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    2.8755   -2.7190 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.7196   -0.3224    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -0.4664   -0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9445    1.1083    0.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790   -1.5203    0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605    0.0428    0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633   -2.6663   -4.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7730   -1.5481   -5.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6841   -1.7763   -5.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8172   -2.4384   -6.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628   -0.6529   -6.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1975   -1.5493   -1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -1.6759   -2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0687    5.1151   -4.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876    6.3812   -3.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2707    4.0961   -3.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    5.8268   -3.3479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3484    5.3529   -1.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614    5.6370   -2.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    5.6097   -3.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222    4.4160   -1.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2938    5.8307   -2.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4943    3.1624   -3.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3766    4.7189   -3.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0595    4.5934   -4.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 397👍, 0💬