3-heptyl-6-(4-pentoxyphenyl)-1,2,4,5-tetrazine

Systemtic Name: 3-heptyl-6-(4-pentoxyphenyl)-1,2,4,5-tetrazine Openeye Name: 3-heptyl-6-(4-pentoxyphenyl)-1,2,4,5-tetrazine CAS Name: 3-heptyl-6-(4-pentoxyphenyl)-1,2,4,5-tetrazine IUPAC Name: 3-heptyl-6-(4-pentoxyphenyl)-1,2,4,5-tetrazine Traditional Name: 3-(4-amoxyphenyl)-6-heptyl-1,2,4,5-tetrazine Formula: C20H30N4O MolecularWeight: 342.4784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCCC

Isomeric SMILES

CCCCCCCC1=NN=C(N=N1)C2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C20H30N4O/c1-3-5-7-8-9-11-19-21-23-20(24-22-19)17-12-14-18(15-13-17)25-16-10-6-4-2/h12-15H,3-11,16H2,1-2H3