5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-nitro-benzoic acid

Systemtic Name: 5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-nitro-benzoic acid Openeye Name: 5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-nitro-benzoic acid CAS Name: 5-[(2-ethoxy-2-oxoethyl)thio]-2-nitrobenzoic acid IUPAC Name: 5-(2-ethoxy-2-oxoethyl)sulfanyl-2-nitrobenzoic acid Traditional Name: 5-[(2-ethoxy-2-keto-ethyl)thio]-2-nitro-benzoic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6S/c1-2-18-10(13)6-19-7-3-4-9(12(16)17)8(5-7)11(14)15/h3-5H,2,6H2,1H3,(H,14,15)