Molecule FYI-1012736

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A

Molecule Summary:

ID: FYI-1012736
Names:
InChIKey: RCLBGZDWDURRJY-DUXPYHPUSA-N
SMILES: Oc1ccc(/C=C/C(O)O)cc1O

Received at FYIcenter.com on: 2024-10-16

Molecule ID: FYI-1012736 Edit

Molecule Structure InChIKey: RCLBGZDWDURRJY-DUXPYHPUSA-N

Molecule Structure SMILES String: Oc1ccc(/C=C/C(O)O)cc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012736
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    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
    1.2124    4.2000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   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  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 13  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012736-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    3.4309    1.7169   -0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0838   -0.9707    0.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615    0.3275    1.2244 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4442   -0.6155   -0.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137    0.1848   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1210    1.1496   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4415   -1.1640   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    0.5842   -0.2886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559    0.7658   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7837   -0.5830    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -1.5478    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3520   -0.1531    0.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7707    0.3052   -0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701    2.2030   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -1.9514   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510    1.5721   -0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -2.6023    0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -1.1341    0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    1.3079   -0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0194    2.5920   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1189   -1.9390    0.3033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0845    0.9770    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1821   -0.1366   -1.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  1  0  0  0  0
  3 22  1  0  0  0  0
  4 13  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
$$$$

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