(3R,4R)-5-nitro-3-oxidanyl-4-thiophen-2-yl-pentan-2-one

Systemtic Name: (3R,4R)-5-nitro-3-oxidanyl-4-thiophen-2-yl-pentan-2-one Openeye Name: (3R,4R)-3-hydroxy-5-nitro-4-(2-thienyl)pentan-2-one CAS Name: (3R,4R)-3-hydroxy-5-nitro-4-thiophen-2-yl-2-pentanone IUPAC Name: (3R,4R)-3-hydroxy-5-nitro-4-thiophen-2-ylpentan-2-one Traditional Name: (3R,4R)-3-hydroxy-5-nitro-4-(2-thienyl)pentan-2-one Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C[N+](=O)[O-])C1=CC=CS1)O

Isomeric SMILES

CC(=O)[C@@H]([C@@H](C[N+](=O)[O-])C1=CC=CS1)O

InChI

InChI=1S/C9H11NO4S/c1-6(11)9(12)7(5-10(13)14)8-3-2-4-15-8/h2-4,7,9,12H,5H2,1H3/t7-,9-/m0/s1