2-fluoranyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-fluoranyl-4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-5-nitro-benzoic acid Openeye Name: 2-fluoro-4-(2-methoxy-2-oxo-ethyl)sulfanyl-5-nitro-benzoic acid CAS Name: 2-fluoro-4-[(2-methoxy-2-oxoethyl)thio]-5-nitrobenzoic acid IUPAC Name: 2-fluoro-4-(2-methoxy-2-oxoethyl)sulfanyl-5-nitrobenzoic acid Traditional Name: 2-fluoro-4-[(2-keto-2-methoxy-ethyl)thio]-5-nitro-benzoic acid Formula: C10H8FNO6S MolecularWeight: 289.237023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8FNO6S/c1-18-9(13)4-19-8-3-6(11)5(10(14)15)2-7(8)12(16)17/h2-3H,4H2,1H3,(H,14,15)