Molecule FYI-1007280

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A

Molecule Summary:

ID: FYI-1007280
Names:
InChIKey: JJTUDXZGHPGLLC-UHFFFAOYSA-N
SMILES: CC1OC(=O)C(C)OC1=O

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007280 Edit

Molecule Structure InChIKey: JJTUDXZGHPGLLC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1OC(=O)C(C)OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007280
FYIcenter.com

 10 10  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
    3.6373    3.5000    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
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007280-3D
FYIcenter.com

 18 18  0     1  0  0  0  0  0999 V2000
   -0.1047    1.3596    0.0922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047   -1.3595    0.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1347    1.4588    0.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347   -1.4589    0.3961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799    0.5965   -0.4643 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1800   -0.5965   -0.4643 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1430    0.8243    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1431   -0.8244    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4753    1.2970   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753   -1.2970   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904    0.5842   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904   -0.5842   -1.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4698    2.3344   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3468    0.7888   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    1.3307    1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4698   -2.3345   -0.4312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -0.7888   -0.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -1.3307    1.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
M  END
$$$$

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2024-04-14, 525👍, 0💬