4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoic acid Openeye Name: 4-(2-methoxy-2-oxo-ethyl)sulfanyl-3-nitro-benzoic acid CAS Name: 4-[(2-methoxy-2-oxoethyl)thio]-3-nitrobenzoic acid IUPAC Name: 4-(2-methoxy-2-oxoethyl)sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[(2-keto-2-methoxy-ethyl)thio]-3-nitro-benzoic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6S/c1-17-9(12)5-18-8-3-2-6(10(13)14)4-7(8)11(15)16/h2-4H,5H2,1H3,(H,13,14)