2-dodecylbenzenesulfonate; (E,4E)-4-(1,2,3-oxathiaziridin-3-ium-3-ylidene)-4-oxidanyl-but-2-enal

Systemtic Name: 2-dodecylbenzenesulfonate; (E,4E)-4-(1,2,3-oxathiaziridin-3-ium-3-ylidene)-4-oxidanyl-but-2-enal Openeye Name: 2-dodecylbenzenesulfonate; (E,4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)but-2-enal CAS Name: 2-dodecylbenzenesulfonate; (E,4E)-4-hydroxy-4-(3-oxathiaziridin-3-iumylidene)-2-butenal IUPAC Name: 2-dodecylbenzenesulfonate; (E,4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)but-2-enal Traditional Name: (E,4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)but-2-enal; 2-laurylbesylate Formula: C22H33NO6S2 MolecularWeight: 471.63052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(=CC(=[N+]1OS1)O)C=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(=C/C(=[N+]\1/OS1)/O)\C=O

InChI

InChI=1S/C18H30O3S.C4H3NO3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;6-3-1-2-4(7)5-8-9-5/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-3H/b;2-1+