Molecule FYI-1001417

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Molecule Summary:

ID: FYI-1001417
SMILES: Cc1cc(=O)c(C(=O)CCC(C)C)c(O)o1

Received at FYIcenter.com on: 2022-07-21

Molecule ID: FYI-1001417 Edit

Molecule Structure SMILES String: Cc1cc(=O)c(C(=O)CCC(C)C)c(O)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001417
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    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
    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
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001417-3D
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.0401   -0.0002   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5283   -0.1110    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1522   -1.2193    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6209   -1.2301    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1893   -2.2537    0.8295 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3386    0.0118    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314    0.1230    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3536    1.2434    0.0452 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6645   -1.1465    0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1710   -0.8795    0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045   -2.1736    0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470   -3.0254   -1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -1.8374    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5936    1.0667   -0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1471    2.2741   -0.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    1.0289   -0.3678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5427   -0.9281    0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347    0.2278   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6829    0.8007    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379   -2.1232    0.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3623   -1.7192   -0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4518   -1.7165    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4409   -0.2837    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222   -0.2627   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7385   -2.7685    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9216   -2.4519   -2.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7175   -3.4003   -1.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4049   -3.8999   -1.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8211   -1.2359   -0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976   -2.7513    0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7088   -1.2749    1.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144    2.2539   -0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 420👍, 0💬