Molecule FYI-1015711

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A

Molecule Summary:

ID: FYI-1015711
Names:
InChIKey: RPALDFGXOONGMX-UHFFFAOYSA-N
SMILES: C=CCc2ccc(OC(=O)C1=CC=CCC1)c(OC)c2

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

Molecule ID: FYI-1015711 Edit

Molecule Structure InChIKey: RPALDFGXOONGMX-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc2ccc(OC(=O)C1=CC=CCC1)c(OC)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015711
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
 16 17  2  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  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015711-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.4833   -0.2709   -0.6317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    0.6328   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    0.6128    1.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.5761    0.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3848    1.7639    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7716    1.7292    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4562    0.5068    0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    0.4662    0.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    1.4154    0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3869    2.3217    1.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0987    1.1699    0.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0806    1.7694    1.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4678    1.6297    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8106    1.1302   -0.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7775    0.6499   -1.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4072    0.3311   -0.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7412   -0.6927    0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2467   -1.9648    0.6131 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5233   -2.1591    1.2073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3438   -0.6450    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -0.1891   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226   -1.1053    0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.4579   -0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8410   -0.2366    1.6481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819    1.5096    1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    2.7251    0.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2979    2.6701    0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8661    2.3859    1.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2200    1.9852    1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8564    1.0834   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1516   -0.2448   -1.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6545    1.4236   -2.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3951   -0.7250   -0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359    0.4516   -1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6041   -3.2164    1.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6541   -1.5715    2.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3147   -1.9503    0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892   -1.5793    0.8668 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  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 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, 374👍, 0💬