3,5-dinitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate

Systemtic Name: 3,5-dinitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoate Openeye Name: 3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzoate CAS Name: 3,5-dinitro-4-[(1-phenyl-5-tetrazolyl)thio]benzoate IUPAC Name: 3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoate Traditional Name: 3,5-dinitro-4-[(1-phenyltetrazol-5-yl)thio]benzoate Formula: C14H7N6O6S- MolecularWeight: 387.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H8N6O6S/c21-13(22)8-6-10(19(23)24)12(11(7-8)20(25)26)27-14-15-16-17-18(14)9-4-2-1-3-5-9/h1-7H,(H,21,22)/p-1