2-(4,5-dimethoxy-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4,5-dimethoxy-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4,5-dimethoxy-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4,5-dimethoxy-2-nitro-phenyl)thio]acetic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])SCC(=O)O)OC

InChI

InChI=1S/C10H11NO6S/c1-16-7-3-6(11(14)15)9(4-8(7)17-2)18-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)