Molecule FYI-1007548

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A

Molecule Summary:

ID: FYI-1007548
Names:
InChIKey: UQHIPPLDEXOCLJ-UHFFFAOYSA-N
SMILES: COC(=O)C1(C)CC(C)(C(=O)OC)C1

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007548 Edit

Molecule Structure InChIKey: UQHIPPLDEXOCLJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C1(C)CC(C)(C(=O)OC)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007548
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.4149    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182    4.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1315    1.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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  2  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  2  1  0  0  0  0
  9  8  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007548-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
    2.3163   -0.5676    0.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5900   -1.1498   -0.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547   -1.1746   -1.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -0.9304    1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9312    1.1062   -0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510    1.0148    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    1.3323   -1.1102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814    1.4732    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0355    2.1096   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3190    1.9690    0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5013   -0.3388   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6237   -0.4524    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8962   -1.8744    0.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -2.5170   -0.7476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550    2.3596   -1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681    0.6736   -1.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855    0.9011    1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953    2.5377    1.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4940    1.9146   -1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244    2.0627    0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582    3.1384   -0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0248    3.0159    0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1095    1.7536   -0.3936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7542    1.8814    1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144   -1.9187    1.7730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5312   -2.0588    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1109   -2.6326    0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -2.9477   -1.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0505   -2.5768   -0.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3548   -3.0780   -0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  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  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 13 25  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
 14 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 1572👍, 0💬