Molecule FYI-1016594

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Molecule Summary:

ID: FYI-1016594
Names:
InChIKey: JHEKBCPEJKZQIY-UHFFFAOYSA-N
SMILES: C=CCOc2ccc1ccccc1c2

Received at FYIcenter.com on: 2026-01-27

Molecule ID: FYI-1016594 Edit

Molecule Structure InChIKey: JHEKBCPEJKZQIY-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCOc2ccc1ccccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016594
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    7.3283    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3283    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1158    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5407    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016594-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    2.2612    0.3291   -0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3511    0.6024   -0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793   -0.7566    0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0192    0.9513   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750   -0.0256   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6658   -1.7267    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646    1.5726   -0.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522   -1.3620   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0112   -1.1054    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826    1.2082    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0052   -0.1282    0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2900   -0.4823   -0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    0.3556    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    0.5677    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499    1.9921   -0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8967   -2.7779    0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1354    2.6232   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -2.1562   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -2.1439    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4569    1.9683    0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0315   -0.4113    0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864   -0.9077    0.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -1.2977   -0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476    0.8132   -0.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783    1.1863    1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    0.1338    2.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  3  6  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
$$$$

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2026-02-02, 302👍, 0💬