(2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-yl-propoxy]oxane

Systemtic Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-yl-propoxy]oxane Openeye Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-(2-thienyl)propoxy]tetrahydropyran CAS Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-ylpropoxy]oxane IUPAC Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-ylpropoxy]oxane Traditional Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-(2-thienyl)propoxy]tetrahydropyran Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(O1)OC(C2=CC=CS2)C(C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@H](O1)O[C@H](C2=CC=CS2)[C@@H](C)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO4S/c1-9-5-3-7-12(17-9)18-13(10(2)14(15)16)11-6-4-8-19-11/h4,6,8-10,12-13H,3,5,7H2,1-2H3/t9-,10+,12+,13-/m0/s1