azane; 3,5-dinitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid

Systemtic Name: azane; 3,5-dinitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid Openeye Name: ammonia; 3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzoic acid CAS Name: ammonia; 3,5-dinitro-4-[(1-phenyl-5-tetrazolyl)thio]benzoic acid IUPAC Name: azane; 3,5-dinitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid Traditional Name: ammonia; 3,5-dinitro-4-[(1-phenyltetrazol-5-yl)thio]benzoic acid Formula: C14H11N7O6S MolecularWeight: 405.34544

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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-].N

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-].N

InChI

InChI=1S/C14H8N6O6S.H3N/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);1H3