phenylsulfonyl 6-(octanoylamino)hexaneperoxoate

Systemtic Name: phenylsulfonyl 6-(octanoylamino)hexaneperoxoate Openeye Name: benzenesulfonyl 6-(octanoylamino)hexaneperoxoate CAS Name: 6-(1-oxooctylamino)hexaneperoxoic acid benzenesulfonyl ester IUPAC Name: benzenesulfonyl 6-(octanoylamino)hexaneperoxoate Traditional Name: 6-(caprylylamino)hexaneperoxoic acid besyl ester Formula: C20H31NO6S MolecularWeight: 413.52824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCCCCC(=O)OOS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)NCCCCCC(=O)OOS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H31NO6S/c1-2-3-4-5-10-15-19(22)21-17-12-7-11-16-20(23)26-27-28(24,25)18-13-8-6-9-14-18/h6,8-9,13-14H,2-5,7,10-12,15-17H2,1H3,(H,21,22)