1-(3-nitro-4-sulfanyl-phenyl)ethanone

Systemtic Name: 1-(3-nitro-4-sulfanyl-phenyl)ethanone Openeye Name: 1-(3-nitro-4-sulfanyl-phenyl)ethanone CAS Name: 1-(4-mercapto-3-nitrophenyl)ethanone IUPAC Name: 1-(3-nitro-4-sulfanylphenyl)ethanone Traditional Name: 1-(4-mercapto-3-nitro-phenyl)ethanone Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO3S/c1-5(10)6-2-3-8(13)7(4-6)9(11)12/h2-4,13H,1H3