Summary

IMPPAT Phytochemical identifier: IMPHY014026

Phytochemical name: Reineckate

Synonymous chemical names:
reineckate

External chemical identifiers:
CID:3081441

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Chemical structure information

SMILES:
[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N.[Cr+3].N.N

InChI:
InChI=1S/4CHNS.Cr.2H3N/c4*2-1-3;;;/h4*3H;;2*1H3/q;;;;+3;;/p-4

InChIKey:
CLFAPTXAJGBEMW-UHFFFAOYSA-J

DeepSMILES:
[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N.[Cr+3].N.N

Functional groups:
N, N#C[S-], [Cr+3]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organosulfur compounds

ClassyFire Class: Thiocyanates

ClassyFire Subclass: Metal thiocyanates

NP-Likeness score: -0.183

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Chemical structure download