6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate

Systemtic Name: 6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Openeye Name: 6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate CAS Name: 6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate IUPAC Name: 6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Traditional Name: 6-(4-chlorophenyl)-2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium perchlorate Formula: C20H16Cl2N4O4 MolecularWeight: 447.27144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN4.ClHO4/c21-17-13-11-16(12-14-17)20-22-24(18-7-3-1-4-8-18)15-25(23-20)19-9-5-2-6-10-19;2-1(3,4)5/h1-14H,15H2;(H,2,3,4,5)/q+1;/p-1