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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3,5-dinitro-benzoic acid Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-3,5-dinitro-benzoic acid CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-3,5-dinitrobenzoic acid IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-3,5-dinitrobenzoic acid Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-3,5-dinitro-benzoic acid Formula: C9H6N6O6S MolecularWeight: 326.24554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H6N6O6S/c1-13-9(10-11-12-13)22-7-5(8(16)17)2-4(14(18)19)3-6(7)15(20)21/h2-3H,1H3,(H,16,17)