Molecule FYI-1011365

A

Molecule Summary:

ID: FYI-1011365
Names:
InChIKey: WFIMKFININVSRR-UHFFFAOYSA-N
SMILES: OC(COc1ccccc1)COc3ccc(Cc2ccccc2)cc3

Received at FYIcenter.com on: 2024-08-05

Molecule ID: FYI-1011365 Edit

Molecule Structure InChIKey: WFIMKFININVSRR-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(COc1ccccc1)COc3ccc(Cc2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1011365
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    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
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   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
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 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
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011365-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    1.5989    1.5107   -0.7090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    0.6759   -0.3272 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2397   -0.3736    0.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7466    0.3244    1.8328 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3240   -0.4591    2.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005   -1.8560    2.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745   -2.5421    4.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -1.8413    5.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842   -0.4489    5.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9033    0.2381    4.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2779    0.0151   -1.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3769   -0.8215   -1.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9909   -1.4574   -2.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5946   -1.3565   -3.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2703   -2.0375   -4.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3834   -2.8271   -4.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1545   -3.5536   -5.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3006   -2.7687   -5.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5849   -2.8438   -5.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245   -2.0518   -5.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974   -1.1946   -6.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -1.1403   -7.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0909   -1.9193   -7.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828   -2.9336   -2.9364 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831   -2.2625   -1.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    1.8327    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    1.3181    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.0102    0.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4287   -0.9770    0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169   -2.4419    2.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8727   -3.6304    4.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1605   -2.3817    6.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1770    0.1032    6.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196    1.3272    4.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.8056   -2.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919   -0.5726   -2.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534   -0.7327   -3.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9130   -1.9290   -5.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586   -3.8610   -6.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5423   -4.4966   -4.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7831   -3.5091   -4.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6058   -2.0883   -5.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1981   -0.5592   -7.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9589   -0.4744   -8.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097   -1.8507   -7.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6453   -3.5372   -2.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088   -2.3595   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  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
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  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 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1312👍, 0💬