Molecule FYI-1009577

A

Molecule Summary:

ID: FYI-1009577
Names:
InChIKey: DEBDFZGNZTYPMF-UHFFFAOYSA-N
SMILES: C=C2CC/1(O)OC3(CC1=C(C)/C)C(C)CCC23

Received at FYIcenter.com on: 2024-05-16

Molecule ID: FYI-1009577 Edit

Molecule Structure InChIKey: DEBDFZGNZTYPMF-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C2CC/1(O)OC3(CC1=C(C)/C)C(C)CCC23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009577
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.9657    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0857    1.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3769    1.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2408    3.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671    3.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3161    2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4448    3.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    3.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1276    4.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3914    1.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7394    1.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416    1.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7429    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309    0.6801    0.0000 O   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
  6  2  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  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009577-3D
FYIcenter.com

 39 41  0     1  0  0  0  0  0999 V2000
    0.5688    0.5218   -1.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984    0.2596   -2.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9717    0.5141    0.2738 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3236   -0.9399    0.6773 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3067    1.2336    0.4739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2439    1.0970    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837   -1.1581    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461   -0.0762   -1.0798 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3442    0.2261   -0.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -1.9457    0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3585    0.5281    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356   -1.5988   -0.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    2.5871   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6565    0.5763    0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044   -3.0356    1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7158   -0.0172   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451    1.2278    1.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.9768    1.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791    1.3725    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605    2.1892    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2764    0.7974    2.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5761   -1.5579   -1.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976   -1.8689    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540    0.2554    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.4478   -1.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0264   -1.9458   -1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4943   -2.1297   -0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911    3.2945    0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4222    3.0134   -0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    2.5097   -1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -0.4113   -2.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -3.2566    1.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7771   -3.7314    0.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4802   -0.5056    0.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2067    0.7709   -0.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3558   -0.7857   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072    1.9773    1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5978    0.4781    2.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3642    1.7392    2.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  2  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2024-05-16, 145👍, 0💬