Molecule FYI-1015712

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A

Molecule Summary:

ID: FYI-1015712
Names:
InChIKey: ARVUCGHLQOSUCZ-UHFFFAOYSA-N
SMILES: C=CCc2ccc(OC(=O)C1=CCCC=C1)c(OC)c2

Received at FYIcenter.com on: 2025-09-30

Molecule ID: FYI-1015712 Edit

Molecule Structure InChIKey: ARVUCGHLQOSUCZ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc2ccc(OC(=O)C1=CCCC=C1)c(OC)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015712
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    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
    3.6373    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
    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 15  2  0  0  0  0
 19 18  2  0  0  0  0
 10 20  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015712-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.5664   -0.7748   -0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    0.1837    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2044    0.2062    1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6998    0.2537    1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3578    1.4796    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7398    1.5249    0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4911    0.3454    0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8763    0.3836    0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    1.3828    1.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3382    2.2706    1.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1034    1.1996    0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0588    1.8635    1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5145    1.8104    0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8934    0.6648   -0.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7478    0.1474   -0.9200 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4674    0.4045   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8510   -0.8939    0.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317   -2.1324    0.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7166   -2.2532    1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4574   -0.9273    1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0313   -0.7262   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3661   -1.6240    0.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943    1.0181   -0.6366 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502   -0.6591    1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927    1.0868    1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7969    2.4115    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2086    2.4949    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7977    2.4929    2.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1185    1.7295    1.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7789    2.7701    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2993   -0.1731    0.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6991    1.0055   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9911   -0.4588   -1.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6731    0.0144   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8613   -3.3067    1.6971 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8052   -1.6683    2.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4971   -1.9879    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9598   -1.8915    1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2025-10-14, 583👍, 0💬