Molecule FYI-1015498

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A

Molecule Summary:

ID: FYI-1015498
Names:
InChIKey: ICVZXVBAQKDARQ-UHFFFAOYSA-N
SMILES: C=CCc1ccc(OC(=O)CCC)c(O)c1

Received at FYIcenter.com on: 2025-09-08

Molecule ID: FYI-1015498 Edit

Molecule Structure InChIKey: ICVZXVBAQKDARQ-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCc1ccc(OC(=O)CCC)c(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015498
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   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
    4.8497    2.8000    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
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   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    0.7000    0.0000 C   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  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015498-3D
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
    1.9350   -0.6251   -3.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942    0.3216   -2.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    0.3572   -1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284    0.2703   -0.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1403   -0.9828   -0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103   -1.0914   -0.5904 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    0.0583   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6883    0.0291   -0.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4755   -1.0378   -0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0896   -2.0213   -1.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9290   -0.8095   -0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7378   -0.7935   -1.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2288   -0.6073   -1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6854    1.3129   -0.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    2.4719   -0.4821 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    1.4251   -0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -0.5946   -4.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5259   -1.4502   -2.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0784    1.1309   -3.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5446   -0.4643   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6433    1.2781   -0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5496   -1.8907   -0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9306   -2.0841   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2526   -1.6227    0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0517    0.1288    0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3664    0.0104   -2.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5800   -1.7311   -2.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4416    0.3401   -0.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7426   -0.5982   -2.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -1.4234   -0.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3184    2.2199   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672    2.4116   -0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  2  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  1  0  0  0  0
  7 14  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  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  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 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2025-09-24, 779👍, 0💬