1-(2-methylsulfanyl-5-nitro-phenyl)ethanone

Systemtic Name: 1-(2-methylsulfanyl-5-nitro-phenyl)ethanone Openeye Name: 1-(2-methylsulfanyl-5-nitro-phenyl)ethanone CAS Name: 1-[2-(methylthio)-5-nitrophenyl]ethanone IUPAC Name: 1-(2-methylsulfanyl-5-nitrophenyl)ethanone Traditional Name: 1-[2-(methylthio)-5-nitro-phenyl]ethanone Formula: C9H9NO3S MolecularWeight: 211.23766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3S/c1-6(11)8-5-7(10(12)13)3-4-9(8)14-2/h3-5H,1-2H3