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

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

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


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