2-hexoxy-5-(phenylsulfonyl)-2,5-dihydropyrrol-1-ium 1-oxide

Systemtic Name: 2-hexoxy-5-(phenylsulfonyl)-2,5-dihydropyrrol-1-ium 1-oxide Openeye Name: 2-(benzenesulfonyl)-5-hexoxy-2,5-dihydropyrrol-1-ium 1-oxide CAS Name: 2-(benzenesulfonyl)-5-hexoxy-2,5-dihydropyrrol-1-ium 1-oxide IUPAC Name: 2-(benzenesulfonyl)-5-hexoxy-2,5-dihydropyrrol-1-ium 1-oxide Traditional Name: 2-besyl-5-hexoxy-3-pyrrolin-1-ium 1-oxide Formula: C16H22NO4S+ MolecularWeight: 324.41518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1C=CC([N+]1=O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1C=CC([N+]1=O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H22NO4S/c1-2-3-4-8-13-21-15-11-12-16(17(15)18)22(19,20)14-9-6-5-7-10-14/h5-7,9-12,15-16H,2-4,8,13H2,1H3/q+1