Molecule FYI-1006205

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A

Molecule Summary:

ID: FYI-1006205
Names:
InChIKey: HDETUOZJFUNSKG-UHFFFAOYSA-N
SMILES: COc2cc(C)cc3c1ccccc1[nH]c23

Received at FYIcenter.com on: 2023-12-02

Molecule ID: FYI-1006205 Edit

Molecule Structure InChIKey: HDETUOZJFUNSKG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2cc(C)cc3c1ccccc1[nH]c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006205
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    3.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1691    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    2.5580    0.0000 C   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 16  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006205-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
    2.4665   -2.0490    0.3813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4821   -1.4600    0.2095 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0150    0.7045    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5640   -0.5692    0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4077    0.5544   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6866   -0.8065    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432   -0.7951    0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877    1.8101   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    1.6001    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7871    0.3158    0.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    1.4544   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9904   -1.3153    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7956    0.9606   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417   -0.4041   -0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963    2.7671   -0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7611   -2.7677   -0.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -2.4599    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861    2.8129   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8639    0.1675    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104    2.5217   -0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1828   -2.3782    0.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6285    1.6512   -0.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0662   -0.7674   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1021    2.5949    0.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4843    2.9437   -1.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    3.6752    0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124   -2.2362   -1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535   -2.9191   -1.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -3.7456   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1502👍, 0💬