Molecule FYI-1009149

A

Molecule Summary:

ID: FYI-1009149
Names:
InChIKey: LVXUUDHYABGYDG-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)CC1COC2C(OC(=O)C(=C)C)COC12

Received at FYIcenter.com on: 2024-05-02

Molecule ID: FYI-1009149 Edit

Molecule Structure InChIKey: LVXUUDHYABGYDG-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)CC1COC2C(OC(=O)C(=C)C)COC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009149
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9618    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944    5.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618    5.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291    5.1684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270    5.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944    7.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8715    8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    9.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180   10.8670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    9.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561    8.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4027   11.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    0.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  2  6  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009149-3D
FYIcenter.com

 40 41  0  0  1  0  0  0  0  0999 V2000
    1.7478   -1.1096   -1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -0.6902   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6098    0.5480   -1.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5644   -1.5448    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -2.7157    0.1822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6356   -0.9238    0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1631   -1.9134    1.9762 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1862   -1.2423    2.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4633   -1.3919    2.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4133   -2.5312    1.3655 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2341   -3.6864    1.9116 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6378   -4.5924    0.8619 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7475   -4.2029    0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3475   -3.1559    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1740   -5.2011   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5159   -6.3537   -1.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998   -4.8632   -1.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387   -4.3897    2.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9337   -4.1880    2.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9819   -3.0503    1.3793 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2306   -0.5603   -2.2991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746   -2.0255   -1.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    1.0405   -2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6011    0.3089   -1.8899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    1.2709   -0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -0.0722    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4540   -0.5538    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3235   -2.2799    2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386   -1.7377    3.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9930   -0.1798    3.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201   -2.1975    0.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1096   -3.3792    2.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -6.6351   -0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8567   -7.0566   -1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8652   -3.9223   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1465   -4.7700   -2.7029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579   -5.6467   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318   -3.9418    3.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4165   -5.4651    2.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6524   -3.3906    0.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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