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

Systemtic Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-yl-butoxy]oxane Openeye Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-(2-thienyl)butoxy]tetrahydropyran CAS Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-ylbutoxy]oxane IUPAC Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-thiophen-2-ylbutoxy]oxane Traditional Name: (2S,6R)-2-methyl-6-[(1S,2R)-2-nitro-1-(2-thienyl)butoxy]tetrahydropyran Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CS1)OC2CCCC(O2)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@@H](C1=CC=CS1)O[C@@H]2CCC[C@@H](O2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H21NO4S/c1-3-11(15(16)17)14(12-7-5-9-20-12)19-13-8-4-6-10(2)18-13/h5,7,9-11,13-14H,3-4,6,8H2,1-2H3/t10-,11+,13+,14-/m0/s1