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

Systemtic Name: 3,5-dinitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid Openeye Name: 3,5-dinitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzoic acid CAS Name: 3,5-dinitro-2-[(1-phenyl-5-tetrazolyl)thio]benzoic acid IUPAC Name: 3,5-dinitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid Traditional Name: 3,5-dinitro-2-[(1-phenyltetrazol-5-yl)thio]benzoic acid Formula: C14H8N6O6S MolecularWeight: 388.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

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