Molecule FYI-1011426

Home > Molecule

A

Molecule Summary:

ID: FYI-1011426
Names:
InChIKey: WQDZXSCMJJJJTK-UHFFFAOYSA-N
SMILES: C=COC(=O)c1ccc(C(=O)OCCO)cc1

Received at FYIcenter.com on: 2024-08-08

Molecule ID: FYI-1011426 Edit

Molecule Structure InChIKey: WQDZXSCMJJJJTK-UHFFFAOYSA-N

Molecule Structure SMILES String: C=COC(=O)c1ccc(C(=O)OCCO)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1011426
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   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
    0.0000    1.4000    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
    8.4870    2.1000    0.0000 O   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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011426-3D
FYIcenter.com

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.5440   -0.0669    2.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1764    0.0841    1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427    1.2660    0.8515 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4841    1.2534   -0.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5495    0.3297   -1.1563 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1868    2.5416   -0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7339    3.7458   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4284    4.9354   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5810    4.9236   -1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4049    6.1395   -1.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6146    6.1036   -1.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    7.2536   -1.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563    8.4764   -0.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    8.9946   -2.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011    9.3049   -3.2250 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0353    3.7199   -1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320    2.5359   -1.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0262   -0.9924    2.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    0.7220    3.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.6924    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8444    3.7710    0.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0795    5.8604    0.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0028    8.3314   -0.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5951    9.2155   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9087    8.2804   -2.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6805    9.9143   -1.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9044    8.4639   -3.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9416    3.6982   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6913    1.6048   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 135👍, 0💬