Molecule FYI-1004938

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A

Molecule Summary:

ID: FYI-1004938
Names:
InChIKey: FPUPSGHCKLROAW-DXMIZCBPSA-N
SMILES: C/C=C/[C@@H]1CC[C@H](OC)CS1

Received at FYIcenter.com on: 2023-10-02

Molecule ID: FYI-1004938 Edit

Molecule Structure InChIKey: FPUPSGHCKLROAW-DXMIZCBPSA-N

Molecule Structure SMILES String: C/C=C/[C@@H]1CC[C@H](OC)CS1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004938
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 S   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
    1.2124    3.5000    0.0000 C   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
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  0  0  0  0
  3  9  1  1  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004938-3D
FYIcenter.com

 27 27  0  0  1  0  0  0  0  0999 V2000
    0.6991   -0.0373   -0.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1866   -0.1775   -0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    0.8492   -0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5433    0.7973   -0.6507 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1976   -0.5317   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8362   -1.0312    1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1107   -0.0532    2.3046 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5115   -0.6632    3.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846    0.0555    4.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5619    1.3566    2.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1426    2.0911    0.4961 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803   -0.8871   -0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594   -0.0186   -1.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.8734   -0.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605   -1.1784   -1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5918    1.8341   -0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9032    1.0817   -1.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2899   -0.4378   -0.3216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9255   -1.3075   -0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   -1.9588    1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826   -1.3336    1.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1942   -0.0034    2.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3876   -0.5955    5.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    0.9327    4.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7265    0.3529    4.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    2.0306    2.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4672    1.3573    2.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  6  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  1  0  0  0
  8  9  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
M  END
$$$$

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2023-10-11, 2353👍, 0💬