3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine

Systemtic Name: 3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine Openeye Name: 3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine CAS Name: 3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine IUPAC Name: 3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine Traditional Name: 3-(4-butoxyphenyl)-6-hexyl-1,2,4,5-tetrazine Formula: C18H26N4O MolecularWeight: 314.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C18H26N4O/c1-3-5-7-8-9-17-19-21-18(22-20-17)15-10-12-16(13-11-15)23-14-6-4-2/h10-13H,3-9,14H2,1-2H3