Molecule FYI-1015715

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A

Molecule Summary:

ID: FYI-1015715
Names:
InChIKey: ZOGNBLKDKPCKGB-UHFFFAOYSA-N
SMILES: C=CCc2ccc(OC(=O)c1ccccc1)c(OC)c2

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

Molecule ID: FYI-1015715 Edit

Molecule Structure InChIKey: ZOGNBLKDKPCKGB-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc2ccc(OC(=O)c1ccccc1)c(OC)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015715
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  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015715-3D
FYIcenter.com

 36 37  0     0  0  0  0  0  0999 V2000
    0.7741   -0.0132    0.5458 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -1.8379   -0.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281    1.1720   -1.4100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2661    0.6399   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7174    0.8782   -0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484   -0.4991   -0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2912   -0.7224   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863    0.1986    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5268    1.5555    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1697    1.3323    0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6031    0.2781    0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0112    0.2773   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6155    0.5371   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951    1.1864   -0.4928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662   -0.8813    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3339    0.9369   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7049   -1.1308    0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6888   -0.2217    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7022   -3.0058   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5080   -0.6801    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9143    1.9573   -0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9883    0.4972   -1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197   -1.2166   -1.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9961    2.4462    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5947    2.0444    1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5042    0.6661    1.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354    2.0955   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6236   -1.6145    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000    1.6449   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -2.0344    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312   -0.4164    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1679   -2.8206    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1900   -3.8054   -0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7282   -3.3251    0.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1198   -1.0632    1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6528   -1.0975   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 20  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 18  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

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2025-10-14, 598👍, 0💬