Molecule FYI-1005098

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A

Molecule Summary:

ID: FYI-1005098
Names:
InChIKey: WSQZNZLOZXSBHA-UHFFFAOYSA-N
SMILES: O=C1OCCCCOC(=O)c2ccc1cc2

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005098 Edit

Molecule Structure InChIKey: WSQZNZLOZXSBHA-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1OCCCCOC(=O)c2ccc1cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005098
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2213    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2213    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0089    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0089    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3716    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5840    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6463    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400    1.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2992    3.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3129    4.9386    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
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005098-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
    2.8254    0.9043   -0.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258    0.9038    0.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757   -1.2034    0.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -1.2039   -0.2361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    2.1721    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6940    2.1717   -0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303    1.7952   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8307    1.7953    0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3596   -0.9849    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3592   -0.9850   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256   -0.4579    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7253   -0.4581   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -1.1089    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053   -1.1143    1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056   -1.1157   -1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -1.1103   -1.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8835    3.1810    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106    1.5295    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    3.1803   -0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    1.5283   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4853    1.3665   -1.5681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    2.7050   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4854    1.3675    1.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782    2.7053    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133   -1.0386    2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -1.0520    2.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494   -1.0543   -2.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2131   -1.0411   -2.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 3310👍, 0💬