Molecule FYI-1010799

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A

Molecule Summary:

ID: FYI-1010799
Names:
InChIKey: NYANECNPIQXXCW-FNORWQNLSA-N
SMILES: O=C(O/C=C/O)c1ccc(C(=O)OCCO)cc1

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010799 Edit

Molecule Structure InChIKey: NYANECNPIQXXCW-FNORWQNLSA-N

Molecule Structure SMILES String: O=C(O/C=C/O)c1ccc(C(=O)OCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010799
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  2  0  0  0  0
 18  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010799-3D
FYIcenter.com

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.3128   -0.1780   -0.7185 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2807    0.0640   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196    1.2916    0.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    2.3839   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288    3.6189   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2679    4.7401   -0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911   -0.9961    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305   -2.3376    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5117   -3.3730    0.9856 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6666   -3.0736    1.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6224   -4.1298    2.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8231   -3.9316    2.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9915   -5.3105    2.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8447   -6.4724    2.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6969   -6.6004    3.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8716   -6.7481    4.7714 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -1.7360    1.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254   -0.7019    1.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4546    2.1387   -1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5378    3.8571    0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678    4.4863   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8570   -2.5853   -0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2349   -4.4054    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4731   -6.4732    1.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1720   -7.3355    2.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499   -5.7392    3.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282   -7.4921    3.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3586   -5.9250    4.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9152   -1.4932    2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5353    0.3248    1.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1617👍, 0💬