Molecule FYI-1001504

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Molecule Summary:

ID: FYI-1001504
SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001504 Edit

Molecule Structure SMILES String: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001504
FYIcenter.com

 15 15  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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    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
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  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  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001504-3D
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    2.7636    3.7542    1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    2.3272    1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7718    2.2477    1.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551    1.2977    0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642    1.2352    0.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1029    0.9055    2.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4997    0.8558    2.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898    1.1220    0.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6458    1.4197   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2512    1.4835   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8058    1.0266    1.0849 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2716   -0.3977    0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5479    2.0420    0.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3766    1.7600   -0.6384 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2302    3.3275    0.5007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2685    4.4693    2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5360    4.0395    0.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8416    3.8611    1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5589    2.0956    2.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4453    2.3827    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2896    3.0205    2.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4060    1.2755    1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6602    1.5174   -0.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    0.2942    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    0.6793    2.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9626    0.5882    3.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2178    1.6010   -1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7832    1.7247   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1106    1.2582    2.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9689   -0.7127   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8510   -1.1120    1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3633   -0.4740    0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249    3.4110    1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1969👍, 0💬