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

Systemtic Name: 5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzoic acid Openeye Name: 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzoic acid CAS Name: 5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzoic acid IUPAC Name: 5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzoic acid Traditional Name: 5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzoic acid Formula: C14H9N5O4S MolecularWeight: 343.31736

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N5O4S/c20-13(21)11-8-10(19(22)23)6-7-12(11)24-14-15-16-17-18(14)9-4-2-1-3-5-9/h1-8H,(H,20,21)