6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine

Systemtic Name: 6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine Openeye Name: 6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine CAS Name: 6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine IUPAC Name: 6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine Traditional Name: 6-(4-octoxyphenyl)-2-octyl-3-phenyl-1H-1,2,4,5-tetrazine Formula: C30H44N4O MolecularWeight: 476.69656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C(N1)C2=CC=C(C=C2)OCCCCCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCN1C(=NN=C(N1)C2=CC=C(C=C2)OCCCCCCCC)C3=CC=CC=C3

InChI

InChI=1S/C30H44N4O/c1-3-5-7-9-11-16-24-34-30(27-18-14-13-15-19-27)32-31-29(33-34)26-20-22-28(23-21-26)35-25-17-12-10-8-6-4-2/h13-15,18-23H,3-12,16-17,24-25H2,1-2H3,(H,31,33)