2-(2-nitro-1-phenyl-ethyl)sulfanylethanoate

Systemtic Name: 2-(2-nitro-1-phenyl-ethyl)sulfanylethanoate Openeye Name: 2-(2-nitro-1-phenyl-ethyl)sulfanylacetate CAS Name: 2-[(2-nitro-1-phenylethyl)thio]acetate IUPAC Name: 2-(2-nitro-1-phenylethyl)sulfanylacetate Traditional Name: 2-[(2-nitro-1-phenyl-ethyl)thio]acetate Formula: C10H10NO4S- MolecularWeight: 240.2557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c12-10(13)7-16-9(6-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)/p-1