2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: 2-[2-nitro-1-(p-tolyl)ethyl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-2-nitroethyl]thio]acetate IUPAC Name: 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[2-nitro-1-(p-tolyl)ethyl]thio]acetate Formula: C11H12NO4S- MolecularWeight: 254.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)10(6-12(15)16)17-7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)/p-1