1-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(2-hydroxyethylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(2-hydroxyethylthio)-3-nitro-phenyl]ethanone Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-7(13)8-2-3-10(16-5-4-12)9(6-8)11(14)15/h2-3,6,12H,4-5H2,1H3