Molecule FYI-1014969

A

Molecule Summary:

ID: FYI-1014969
Names:
InChIKey: KLDJXKAXHMJPQN-UHFFFAOYSA-N
SMILES: CCOCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCC)cc1)cc2

Received at FYIcenter.com on: 2025-06-10

Molecule ID: FYI-1014969 Edit

Molecule Structure InChIKey: KLDJXKAXHMJPQN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCCOC(=O)c2ccc(C(=O)OCCOC(=O)c1ccc(C(=O)OCC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014969
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
 17 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014969-3D
FYIcenter.com

 59 60  0  0  0  0  0  0  0  0999 V2000
    1.6860    3.6257    7.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.6896    6.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7218    3.2234    5.9822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4850    2.4065    5.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    3.0760    4.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7291    2.2732    4.1064 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    2.8331    2.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4067    3.4284    2.1519 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118    2.7513    2.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2609    3.3380    1.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6686    3.3885    1.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4232    2.8561    2.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9072    2.9335    2.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4863    2.9080    3.8891 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    2.9706    1.5917 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9291    2.9639    1.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4607    1.6747    0.9759 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0346    0.5222    1.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7767    0.1991    2.8104 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7831    0.7741    3.1892 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1796   -0.9826    3.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7483   -1.4366    4.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2099   -2.5483    5.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0984   -3.2148    4.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6002   -4.4417    5.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1258   -4.9425    6.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5600   -4.9515    4.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567   -6.3325    5.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1267   -7.1638    4.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5302   -2.7580    3.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0698   -1.6532    2.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    2.2652    3.8205 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767    2.2032    3.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6771    3.2561    7.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131    4.6297    6.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    3.7267    8.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783    2.6062    5.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123    1.6984    6.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647    2.2980    4.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    1.4075    5.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162    3.2134    5.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7097    4.0839    4.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6815    3.7904    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1556    3.8791    0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3402    3.0917    2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2550    3.8206    1.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5538    1.6976    0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0547    1.5530   -0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6176   -0.9323    5.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6713   -2.8999    6.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2015   -6.4808    4.7767 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3925   -6.6126    6.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9649   -6.8685    3.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9122   -8.2295    4.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1891   -6.9947    4.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6776   -3.2636    3.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6163   -1.3375    2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3434    1.8749    4.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9116    1.7568    4.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  2  0  0  0  0
 10 11  2  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  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
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  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 31  2  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 33  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 1282👍, 0💬