(2R,3R)-3-(3-nitrophenoxy)-2-octyl-thietane

Systemtic Name: (2R,3R)-3-(3-nitrophenoxy)-2-octyl-thietane Openeye Name: (2R,3R)-3-(3-nitrophenoxy)-2-octyl-thietane CAS Name: (2R,3R)-3-(3-nitrophenoxy)-2-octylthietane IUPAC Name: (2R,3R)-3-(3-nitrophenoxy)-2-octylthietane Traditional Name: (2R,3R)-3-(3-nitrophenoxy)-2-octyl-thietane Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(CS1)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC[C@@H]1[C@@H](CS1)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25NO3S/c1-2-3-4-5-6-7-11-17-16(13-22-17)21-15-10-8-9-14(12-15)18(19)20/h8-10,12,16-17H,2-7,11,13H2,1H3/t16-,17-/m1/s1