Molecule FYI-1007400

Home > Molecule

A

Molecule Summary:

ID: FYI-1007400
Names:
InChIKey: HFMGXSXAGHUXTI-UHFFFAOYSA-N
SMILES: O=C(O)C1=CC(O)=C(O)C(O)C1

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007400 Edit

Molecule Structure InChIKey: HFMGXSXAGHUXTI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C1=CC(O)=C(O)C(O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007400
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   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
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007400-3D
FYIcenter.com

 20 20  0     1  0  0  0  0  0999 V2000
    1.2808    2.0145    1.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1842    0.1281   -0.2773 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895   -2.3108   -0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    0.7360   -0.7608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0272   -0.9358    0.7988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839    1.4043   -0.1803 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4293    1.2954   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0194   -0.0372   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    0.0830   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611   -1.0876   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2779   -1.1377    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4710   -0.1522    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5354    2.0667   -0.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878    1.4418   -1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9620    2.0984    0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7342   -2.0879    0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8957    2.9066    1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4480    1.0636   -0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1242   -3.0152    0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0607    0.6896   -0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1717👍, 0💬