[4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] ethanoate

Systemtic Name: [4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] ethanoate Openeye Name: [4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] acetate CAS Name: acetic acid [4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] ester IUPAC Name: [4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] acetate Traditional Name: acetic acid [4-(2,4-diphenyl-3H-1,2,4,5-tetrazin-2-ium-6-yl)phenyl] ester Formula: C22H19N4O2+ MolecularWeight: 371.41186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=NN(C[N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=NN(C[N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19N4O2/c1-17(27)28-21-14-12-18(13-15-21)22-23-25(19-8-4-2-5-9-19)16-26(24-22)20-10-6-3-7-11-20/h2-15H,16H2,1H3/q+1