Molecule FYI-1004374

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A

Molecule Summary:

ID: FYI-1004374
Names:
InChIKey: PMDHMYFSRFZGIO-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCOCCO1

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004374 Edit

Molecule Structure InChIKey: PMDHMYFSRFZGIO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCOCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004374
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.9884    5.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1822    0.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    0.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    1.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    2.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5551    3.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8551    4.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6718    5.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151    7.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764    5.8026    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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004374-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
   -2.4235   -0.0558   -0.6921 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8660    0.4725    0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4985    1.8394    0.2761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646   -0.8519    1.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0489    0.2102   -1.0969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593   -2.0140   -0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8582   -2.1423    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2129   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -1.7293    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889   -0.9840    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4530   -0.2475   -0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7620    1.2742   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481    1.9085    0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906    2.1877   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446    2.3452   -0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -2.7712   -1.5253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -1.0358   -1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   -3.1872    0.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4681   -1.5490    1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6749   -3.0778    0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1224   -2.4065   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -2.2761   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509   -1.9840    0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9958    1.2924    0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6523    1.5839   -0.8013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    2.2759    0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6526    2.2979    1.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3044    2.0562   -1.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562    3.2344   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    3.4383   -0.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9267    1.9402   -1.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2729👍, 0💬