Molecule FYI-1010720

A

Molecule Summary:

ID: FYI-1010720
Names:
InChIKey: WQPKLINMKACPKY-UHFFFAOYSA-L
SMILES: CC1=CC3C(C=C1)Sc2ccccc2[N@@+]34CCC[N+](C)(C)[Pd-2]4(Cl)Cl

Received at FYIcenter.com on: 2024-07-05

Molecule ID: FYI-1010720 Edit

Molecule Structure InChIKey: WQPKLINMKACPKY-UHFFFAOYSA-L

Molecule Structure SMILES String: CC1=CC3C(C=C1)Sc2ccccc2[N@@+]34CCC[N+](C)(C)[Pd-2]4(Cl)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1010720
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
    0.0000    4.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3906    4.1717    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6953    2.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948    3.4764    0.0000 Pd  0  6  0  0  0  0  0  0  0  0  0  0
    1.8995    2.2722    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4173    2.0518    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3906    5.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948    6.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7992    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 24 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010720-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    4.9980    1.8441   -0.9327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    0.5051   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6216   -0.6668   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9899   -2.0209    0.3154 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7140   -1.7678    1.1566 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6291   -0.3365    1.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5761    0.4898    0.5345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065   -2.3863    0.1733 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0934   -3.8642   -0.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540   -4.7776   -1.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4107   -3.5099    0.3393 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9154   -4.3983    1.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5706   -5.3228    1.9716 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3862   -3.5493    3.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5757   -3.6159    0.2417 Pd  0  6  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1815👍, 0💬