Molecule FYI-1001916

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Molecule Summary:

ID: FYI-1001916
SMILES: C/C=C/C1=CC=C(C=C1)OC

Received at FYIcenter.com on: 2023-01-01

Molecule ID: FYI-1001916 Edit

Molecule Structure SMILES String: C/C=C/C1=CC=C(C=C1)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001916
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    1.2124    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
  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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001916-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.0044   -0.0397   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.0532   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519    0.8215   -0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203    0.7715   -0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4156   -0.4412   -0.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8084   -0.4839   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    0.6894   -1.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8495    1.9016   -1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    1.9450   -1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8957    0.7753   -1.1442 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6172   -0.4469   -1.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6231   -0.8452    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6246   -0.2087   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6129    0.9072    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559   -0.8386    0.5043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782    1.6181   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8812   -1.3792   -0.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2885   -1.4532   -0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4055    2.8215   -1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9480    2.9039   -1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6856   -0.2114   -1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3940   -1.1061   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192   -0.9477   -0.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  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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2023-01-08, 2797👍, 0💬