4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate Openeye Name: 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-3,5-dinitro-benzoate CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-3,5-dinitrobenzoate IUPAC Name: 4-(2-ethoxy-2-oxoethyl)sulfanyl-3,5-dinitrobenzoate Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-3,5-dinitro-benzoate Formula: C11H9N2O8S- MolecularWeight: 329.26276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O8S/c1-2-21-9(14)5-22-10-7(12(17)18)3-6(11(15)16)4-8(10)13(19)20/h3-4H,2,5H2,1H3,(H,15,16)/p-1