Molecule FYI-1003511

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A

Molecule Summary:

ID: FYI-1003511
Names:
InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N
SMILES: O=C(O)c1cc(O)c(O)c(O)c1

Received at FYIcenter.com on: 2023-06-24

Molecule ID: FYI-1003511 Edit

Molecule Structure InChIKey: LNTHITQWFMADLM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1cc(O)c(O)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003511
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  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
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003511-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    3.1158   -0.0411   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    2.3803   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770   -2.4076   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0362   -1.1764   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863    1.0917   -0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    0.0417    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526   -0.0142    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0793    1.2075    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312   -1.2081    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153    1.2354    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -1.1801    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4908    0.0708    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    2.1912   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -2.1299    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410    0.8760   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431    3.1216   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6353   -2.2390   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167   -1.1460   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  9  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  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
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
$$$$

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2023-07-05, 1876👍, 0💬