2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium sulfate

Systemtic Name: 2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium sulfate Openeye Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium sulfate CAS Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium sulfate IUPAC Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium sulfate Traditional Name: 2,3-diphenyl-1,3-dihydrotetrazol-3-ium sulfate Formula: C26H26N8O4S MolecularWeight: 546.60084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3.C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3.C1=CC=C(C=C1)[NH+]2N=CNN2C3=CC=CC=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C13H12N4.H2O4S/c2*1-3-7-12(8-4-1)16-14-11-15-17(16)13-9-5-2-6-10-13;1-5(2,3)4/h2*1-11H,(H,14,15);(H2,1,2,3,4)