2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoic acid

Systemtic Name: 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoic acid Openeye Name: 2-(2-methoxy-2-oxo-ethyl)sulfanyl-3,5-dinitro-benzoic acid CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-3,5-dinitrobenzoic acid IUPAC Name: 2-(2-methoxy-2-oxoethyl)sulfanyl-3,5-dinitrobenzoic acid Traditional Name: 2-[(2-keto-2-methoxy-ethyl)thio]-3,5-dinitro-benzoic acid Formula: C10H8N2O8S MolecularWeight: 316.24412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O8S/c1-20-8(13)4-21-9-6(10(14)15)2-5(11(16)17)3-7(9)12(18)19/h2-3H,4H2,1H3,(H,14,15)