Molecule FYI-1001734

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A

Molecule Summary:

ID: FYI-1001734
SMILES: OC(=O)CCCOc1cc2CC(C3CCC3)(C3CCCC3)C(=O)c2c(Cl)c1Cl

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001734 Edit

Molecule Structure SMILES String: OC(=O)CCCOc1cc2CC(C3CCC3)(C3CCCC3)C(=O)c2c(Cl)c1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001734
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   15.2624    3.5065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0476    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0476    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8329    3.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6182    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4035    3.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1888    4.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9741    3.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5446    3.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    3.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    3.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863    5.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945    6.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    4.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    0.3365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5446    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9741    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1888    1.4026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  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  7  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 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 27  8  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001734-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    0.9342    0.6501   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    0.6260   -0.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6085    0.1089   -1.4201 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315    1.3026    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025    1.2703    0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4684    1.9730    1.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8403    1.9671    0.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6458    2.9710    1.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6983    3.3137    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6176    4.2861    0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8633    4.7431    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7138    5.4163    1.2601 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5127    6.6084    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4037    7.4600    1.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0387    8.7015    0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7918    7.9452    0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7161    4.4018    1.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2463    2.9447    2.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383    2.3134    3.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7877    3.4618    3.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1368    4.7335    3.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6134    5.8217    2.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6701    6.7195    3.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4582    4.9447    2.0565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    4.6400    2.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3491    5.4564    4.4756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    3.6027    2.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4569    3.0502    3.8469 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7673    1.0908    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0105    0.7909    1.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995    2.3410    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7357    1.7490   -0.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425    0.2349    0.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3688    1.4076    2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    2.9996    1.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048    2.7881   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5836    5.4602   -0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3955    3.9134   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1100    6.2526   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4665    7.2001    1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0577    7.5314    2.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7648    8.9399    0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8440    9.6017    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5649    8.0879   -0.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8937    8.1773    0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6286    4.3765    1.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3149    2.3934    1.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2150    2.8798    2.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9030    1.6751    2.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5433    1.6824    3.8144 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8649    3.4774    3.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6537    3.3644    4.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8392    5.5669    3.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2748    4.9685    4.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

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2022-12-14, 630👍, 0💬