[2-(methylsulfanylmethyl)-6-nitro-phenyl] ethanoate

Systemtic Name: [2-(methylsulfanylmethyl)-6-nitro-phenyl] ethanoate Openeye Name: [2-(methylsulfanylmethyl)-6-nitro-phenyl] acetate CAS Name: acetic acid [2-[(methylthio)methyl]-6-nitrophenyl] ester IUPAC Name: [2-(methylsulfanylmethyl)-6-nitrophenyl] acetate Traditional Name: acetic acid [2-[(methylthio)methyl]-6-nitro-phenyl] ester Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC=C1[N+](=O)[O-])CSC

Isomeric SMILES

CC(=O)OC1=C(C=CC=C1[N+](=O)[O-])CSC

InChI

InChI=1S/C10H11NO4S/c1-7(12)15-10-8(6-16-2)4-3-5-9(10)11(13)14/h3-5H,6H2,1-2H3