Molecule FYI-1006804

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Molecule Summary:

ID: FYI-1006804
Names:
InChIKey: BYIKQXOLCVZDRP-UHFFFAOYSA-N
SMILES: C[S+](Cl)CCCN

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006804 Edit

Molecule Structure InChIKey: BYIKQXOLCVZDRP-UHFFFAOYSA-N

Molecule Structure SMILES String: C[S+](Cl)CCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1006804
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    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 N   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006804-3D
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.1222    0.2138    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9056   -0.0655    0.1685 S   0  3  3  0  0  0  0  0  0  0  0  0
    3.2295   -1.2081   -1.4205 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4032    1.5751   -0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250    1.7002   -0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3876    3.0584   -1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9303    3.2807   -2.3778 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6035   -0.7172    0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    0.5255   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8191    0.9855    0.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9772    2.3300    0.2084 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    1.7147   -1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3662    0.9064   -1.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3231    1.5585    0.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4819    3.1046   -0.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080    3.8589   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2879    2.5415   -2.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3230    4.1520   -2.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  END
$$$$

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2024-01-24, 251👍, 0💬