Molecule FYI-1015269

A

Molecule Summary:

ID: FYI-1015269
Names:
InChIKey: SZEDXWBVOPNLIF-UHFFFAOYSA-N
SMILES: O=C(OCCCO)c3cc(O)c2c(=O)c1c(O)cccc1c(=O)c2c3

Received at FYIcenter.com on: 2025-07-24

Molecule ID: FYI-1015269 Edit

Molecule Structure InChIKey: SZEDXWBVOPNLIF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCCCO)c3cc(O)c2c(=O)c1c(O)cccc1c(=O)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015269
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   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
    2.4249    0.0000    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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   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  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  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
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24 12  1  0  0  0  0
 25 24  2  0  0  0  0
 25  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015269-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.6328    1.0609   -0.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841    0.1296   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -0.2470    1.1606 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6074    0.7024    2.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1733    0.7646    2.7332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -0.5701    3.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6526   -0.4359    3.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -0.6760   -1.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026   -0.3783   -2.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3533   -1.0286   -3.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0060   -0.6942   -4.8013 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3505   -1.9848   -3.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812   -2.6776   -4.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8561   -2.4646   -5.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317   -3.6669   -4.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8293   -4.3412   -5.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5920   -4.1387   -6.3957 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8205   -5.2714   -4.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1314   -5.5374   -3.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4449   -4.8742   -2.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -3.9418   -2.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293   -3.2573   -1.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0184   -3.4885   -0.4595 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677   -2.2832   -1.9480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0055   -1.6424   -0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9414    1.6939    1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752    0.4079    3.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4891    1.1023    1.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1095    1.5211    3.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073   -0.9222    4.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6802   -1.3333    2.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.2257    4.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9518    0.3834   -2.6738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726   -0.0572   -4.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836   -3.4580   -6.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3483   -5.7853   -5.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9056   -6.2610   -3.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6946   -5.0853   -1.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2798   -1.8886    0.1423 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  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
$$$$

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2025-11-06, 521👍, 0💬