methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium

Systemtic Name: methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium Openeye Name: methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium CAS Name: methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium IUPAC Name: methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Traditional Name: methyl sulfate; 5-nitro-2,3-diphenyl-1,3-dihydrotetrazol-3-ium Formula: C14H15N5O6S MolecularWeight: 381.3638

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O2.CH4O4S/c19-18(20)13-14-16(11-7-3-1-4-8-11)17(15-13)12-9-5-2-6-10-12;1-5-6(2,3)4/h1-10H,(H,14,15);1H3,(H,2,3,4)