Molecule FYI-1002773

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A

Molecule Summary:

ID: FYI-1002773
Names:
InChIKey: QZPQTZZNNJUOLS-UHFFFAOYSA-N
SMILES: CC1(C)CCc3c(O1)c2ccccc2c(=O)c3=O

Received at FYIcenter.com on: 2023-04-21

Molecule ID: FYI-1002773 Edit

Molecule Structure InChIKey: QZPQTZZNNJUOLS-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1(C)CCc3c(O1)c2ccccc2c(=O)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002773
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    6.2497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    7.5124    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  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  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 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 16  2  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002773-3D
FYIcenter.com

 32 34  0     0  0  0  0  0  0999 V2000
    1.5323   -1.1790    0.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132    3.2692   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817    2.3116   -0.1028 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8868   -0.7384   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1471    0.6126    0.6193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1470    1.6703    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    1.0963    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5294   -0.2283    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837   -1.8063    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706   -0.6983   -1.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8393   -0.7854    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    2.0562    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571    0.0578   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587    1.5148   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0673   -2.1721    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2591   -0.4565   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3649   -2.6907    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4591   -1.8338   -0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1705    0.9606    0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0411    0.4928    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    2.0678   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1776    2.5064    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982   -2.7911    0.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   -1.5665    0.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5665   -1.9074    1.6460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -0.4001   -1.7775 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9986   -1.6824   -2.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036   -0.0064   -2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -2.8781    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1239    0.1993   -0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -3.7658    0.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4663   -2.2385   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2 12  2  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2023-04-26, 778👍, 0💬