methyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate

Systemtic Name: methyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate Openeye Name: methyl 2-(2-methoxy-2-oxo-ethyl)sulfanyl-3,5-dinitro-benzoate CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)sulfanyl-3,5-dinitrobenzoate Traditional Name: 2-[(2-keto-2-methoxy-ethyl)thio]-3,5-dinitro-benzoic acid methyl ester Formula: C11H10N2O8S MolecularWeight: 330.2707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

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