Molecule FYI-1006427

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A

Molecule Summary:

ID: FYI-1006427
Names:
InChIKey: RPMLOCXCMVEHLV-UHFFFAOYSA-N
SMILES: c2cc(C1CCCC1)cc[o+]2

Received at FYIcenter.com on: 2023-12-16

Molecule ID: FYI-1006427 Edit

Molecule Structure InChIKey: RPMLOCXCMVEHLV-UHFFFAOYSA-N

Molecule Structure SMILES String: c2cc(C1CCCC1)cc[o+]2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006427
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3454    5.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801    5.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006427-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
   -3.2144    0.0798    0.2138 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.0195   -0.1250   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7001   -1.0973    0.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    1.1602   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1842   -0.7565    0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560    0.6820   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    0.0188   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070    1.1829    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -1.1665   -0.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4714    1.1399    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780   -1.1182   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799   -0.4613   -1.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156   -2.1464    0.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614   -0.9396    1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559    1.6517    0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6896    1.8857   -1.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833   -1.4296   -0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6853   -0.8667    1.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432    1.3250    0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7388    0.6981   -1.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    2.1344    0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935   -2.1016   -0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9096    2.1126    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2646   -1.9468   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

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