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didecylazanium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate

didecylazanium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name:didecylazanium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate
Openeye Name:didecylammonium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate
CAS Name:didecylammonium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate
IUPAC Name:didecylazanium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate
Traditional Name:didecylammonium; 5-hexyl-4-phenyl-1,2,4-triazole-3-thiolate
Formula: C34H62N4S
MolecularWeight: 558.94788
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[NH2+]CCCCCCCCCC.CCCCCCC1=NN=C(N1C2=CC=CC=C2)[S-]


Isomeric SMILES

CCCCCCCCCC[NH2+]CCCCCCCCCC.CCCCCCC1=NN=C(N1C2=CC=CC=C2)[S-]


InChI

InChI=1S/C20H43N.C14H19N3S/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;1-2-3-4-8-11-13-15-16-14(18)17(13)12-9-6-5-7-10-12/h21H,3-20H2,1-2H3;5-7,9-10H,2-4,8,11H2,1H3,(H,16,18)


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