2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate

Systemtic Name: 2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Openeye Name: 2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate CAS Name: 2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate IUPAC Name: 2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Traditional Name: 2,4-bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Formula: C20H15Br2ClN4O4 MolecularWeight: 570.6185

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Descriptors Computed from Structure

Canonical SMILES:

C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H15Br2N4.ClHO4/c21-16-6-10-18(11-7-16)25-14-26(19-12-8-17(22)9-13-19)24-20(23-25)15-4-2-1-3-5-15;2-1(3,4)5/h1-13H,14H2;(H,2,3,4,5)/q+1;/p-1