2-(1-nitro-3-phenylmethoxy-butan-2-yl)-1,3-dithiane

Systemtic Name: 2-(1-nitro-3-phenylmethoxy-butan-2-yl)-1,3-dithiane Openeye Name: 2-[2-benzyloxy-1-(nitromethyl)propyl]-1,3-dithiane CAS Name: 2-(1-nitro-3-phenylmethoxybutan-2-yl)-1,3-dithiane IUPAC Name: 2-(1-nitro-3-phenylmethoxybutan-2-yl)-1,3-dithiane Traditional Name: 2-[2-benzoxy-1-(nitromethyl)propyl]-1,3-dithiane Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C[N+](=O)[O-])C1SCCCS1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(C[N+](=O)[O-])C1SCCCS1)OCC2=CC=CC=C2

InChI

InChI=1S/C15H21NO3S2/c1-12(19-11-13-6-3-2-4-7-13)14(10-16(17)18)15-20-8-5-9-21-15/h2-4,6-7,12,14-15H,5,8-11H2,1H3