1-[5-(2-hydroxyethylsulfanyl)-4-nitro-thiophen-2-yl]ethanone

Systemtic Name: 1-[5-(2-hydroxyethylsulfanyl)-4-nitro-thiophen-2-yl]ethanone Openeye Name: 1-[5-(2-hydroxyethylsulfanyl)-4-nitro-2-thienyl]ethanone CAS Name: 1-[5-(2-hydroxyethylthio)-4-nitro-2-thiophenyl]ethanone IUPAC Name: 1-[5-(2-hydroxyethylsulfanyl)-4-nitrothiophen-2-yl]ethanone Traditional Name: 1-[5-(2-hydroxyethylthio)-4-nitro-2-thienyl]ethanone Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(S1)SCCO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(S1)SCCO)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO4S2/c1-5(11)7-4-6(9(12)13)8(15-7)14-3-2-10/h4,10H,2-3H2,1H3