Molecule FYI-1001795

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A

Molecule Summary:

ID: FYI-1001795
SMILES: O=Cc1ccc(O)c(OC)c1

Received at FYIcenter.com on: 2022-12-12

Molecule ID: FYI-1001795 Edit

Molecule Structure SMILES String: O=Cc1ccc(O)c(OC)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001795
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0010   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450    1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    0.5600    0.0000 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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  3 11  2  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  7 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001795-3D
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.4637   -0.3302   -0.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4003    0.0005    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372   -0.9428    1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820   -2.2581    1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922   -3.1406    2.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2534   -2.7079    2.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8221   -3.6115    3.7162 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7122   -1.3856    2.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7191   -0.7905    3.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4065   -1.5678    4.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963   -0.5085    1.8804 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8108    1.0243    0.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7559   -2.5971    0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8266   -4.1624    2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3572   -4.4613    3.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1240   -0.9107    4.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783   -2.3719    3.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7263   -1.9434    5.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4551    0.5161    1.8153 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 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2677👍, 0💬