Molecule FYI-1016485

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Molecule Summary:

ID: FYI-1016485
Names:
InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccco1

Received at FYIcenter.com on: 2026-01-12

Molecule ID: FYI-1016485 Edit

Molecule Structure InChIKey: NHXSTXWKZVAVOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c1ccco1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016485
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  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
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016485-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    1.5109   -0.3135   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8512    0.9266    0.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7810    1.8696   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717    0.1314    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7909    0.0768   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    0.6419   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193   -1.2303   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852   -1.0758    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6338   -1.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9689    0.1535    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0551    0.7378   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.7373    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355   -0.7715    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -1.7010    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5983   -1.7004   -0.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5983   -2.1150   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3227   -2.0126   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9071    0.6888    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2026-02-02, 769👍, 0💬