Molecule FYI-1005907

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Molecule Summary:

ID: FYI-1005907
Names:
InChIKey: PAALZGOZEUHCET-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)OCCO1

Received at FYIcenter.com on: 2023-11-20

Molecule ID: FYI-1005907 Edit

Molecule Structure InChIKey: PAALZGOZEUHCET-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)OCCO1

Download SDF Download SVG Structure in 2D SDF:

FYI-1005907
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1572    2.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    1.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    0.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    2.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    2.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    4.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    4.9385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  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
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005907-3D
FYIcenter.com

 24 24  0     0  0  0  0  0  0999 V2000
   -1.1026   -1.1285   -0.7992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    1.1294    0.7994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1166   -1.8901    1.1483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    1.8882   -1.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502   -0.7697    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.7695   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2328   -1.4371   -0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    1.4378    0.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0544   -1.5383   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    1.5379    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101   -0.7561   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3101    0.7569    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3560   -1.1313    1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3036   -1.0891   -0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573    1.1311   -1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    1.0885    0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212   -2.4621   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714   -0.8961   -1.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    2.4631    1.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.8978    1.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3911   -1.2823    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1615   -1.0552   -0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3914    1.2831   -0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614    1.0559    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1592👍, 0💬