Molecule FYI-1007318

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A

Molecule Summary:

ID: FYI-1007318
Names:
InChIKey: UPVIYLZAVZYWHG-UHFFFAOYSA-N
SMILES: CCCOCC(=O)c2ccc1cc(OC)ccc1c2

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007318 Edit

Molecule Structure InChIKey: UPVIYLZAVZYWHG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCOCC(=O)c2ccc1cc(OC)ccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007318
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  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  1  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  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007318-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.0057   -4.7443    1.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5839   -4.6381    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6400   -3.5454    0.3984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567   -3.5102   -0.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952   -2.5522   -1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.7949   -0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8414   -1.9398    0.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1526   -4.1006   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7596   -5.0985   -1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4681   -6.3006   -1.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   -6.5232   -0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3181   -7.7152   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4352   -7.9279    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0613   -9.1286    0.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2222   -9.3768    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8172   -6.9416    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0940   -5.7493    1.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9798   -5.5229    0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2566   -4.3242    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418   -5.5262    1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5448   -3.7992    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -4.9936    2.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7872   -4.4343   -0.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252   -5.5979    0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4426   -3.7725    1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2078   -2.5704    0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8007   -1.5529   -0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5084   -2.5387   -2.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9025   -4.9754   -1.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1400   -7.0646   -2.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0285   -8.4939   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6135  -10.3578    0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9760   -9.4103    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022   -8.6353    0.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   -7.0652    1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4127   -4.9925    1.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5573   -3.5503    1.2065 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  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  2  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2024-03-07, 600👍, 0💬