Molecule FYI-1006697

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Molecule Summary:

ID: FYI-1006697
Names:
InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES: O=C(O)c1ccc(C(=O)O)cc1

Received at FYIcenter.com on: 2024-01-11

Molecule ID: FYI-1006697 Edit

Molecule Structure InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006697
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6370    1.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1732    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    3.4771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    5.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006697-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    3.3966    1.1837   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3965   -1.1836   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423   -1.0846    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5423    1.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946   -0.0305   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3945    0.0305    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235    1.1924   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6710    1.2230    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709   -1.2231   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237   -1.1925    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8484   -0.0624    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    0.0625    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    2.1441   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1753    2.1858    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1752   -2.1859   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477   -2.1442    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770    1.1511   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770   -1.1508   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
$$$$

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2024-01-24, 1872👍, 0💬