2-(5-azanyl-2,4-dinitro-phenyl)sulfanylethanoate

Systemtic Name: 2-(5-azanyl-2,4-dinitro-phenyl)sulfanylethanoate Openeye Name: 2-(5-amino-2,4-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(5-amino-2,4-dinitrophenyl)thio]acetate IUPAC Name: 2-(5-amino-2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(5-amino-2,4-dinitro-phenyl)thio]acetate Formula: C8H6N3O6S- MolecularWeight: 272.21474

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1SCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N

Isomeric SMILES

C1=C(C(=CC(=C1SCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C8H7N3O6S/c9-4-1-7(18-3-8(12)13)6(11(16)17)2-5(4)10(14)15/h1-2H,3,9H2,(H,12,13)/p-1