3,5-dinitro-2-phenylsulfanyl-benzoate

Systemtic Name: 3,5-dinitro-2-phenylsulfanyl-benzoate Openeye Name: 3,5-dinitro-2-phenylsulfanyl-benzoate CAS Name: 3,5-dinitro-2-(phenylthio)benzoate IUPAC Name: 3,5-dinitro-2-phenylsulfanylbenzoate Traditional Name: 3,5-dinitro-2-(phenylthio)benzoate Formula: C13H7N2O6S- MolecularWeight: 319.26948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O6S/c16-13(17)10-6-8(14(18)19)7-11(15(20)21)12(10)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)/p-1