Molecule FYI-1003548

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A

Molecule Summary:

ID: FYI-1003548
Names:
InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N
SMILES: C/C=C/c1ccc(OC)cc1

Received at FYIcenter.com on: 2023-06-29

Molecule ID: FYI-1003548 Edit

Molecule Structure InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N

Molecule Structure SMILES String: C/C=C/c1ccc(OC)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003548
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  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  6  1  0  0  0  0
 11 10  2  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003548-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
    3.2018    0.5781    0.0532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635   -0.2451   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4190    1.0770   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0582   -1.2906   -0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8689    0.3081    0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    1.3536   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -1.0140    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879   -0.5338   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2833    0.3242    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7361   -0.0196    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0892   -0.5379    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0982    1.9221   -0.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2705   -2.3272   -0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    2.3852   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853   -1.8731    0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5559   -1.5394   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689    1.3301    0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    0.0874    1.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2504    0.6586   -0.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9044   -1.0454   -0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0173   -1.1537   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437   -1.1231    1.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1083   -0.1391    0.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2023-07-11, 2163👍, 0💬