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

Systemtic Name: 2-dodecylbenzenesulfonate; (4E)-4-(1,2,3-oxathiaziridin-3-ium-3-ylidene)-4-oxidanyl-butanal Openeye Name: 2-dodecylbenzenesulfonate; (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butanal CAS Name: 2-dodecylbenzenesulfonate; (4E)-4-hydroxy-4-(3-oxathiaziridin-3-iumylidene)butanal IUPAC Name: 2-dodecylbenzenesulfonate; (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butanal Traditional Name: (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butyraldehyde; 2-laurylbesylate Formula: C22H35NO6S2 MolecularWeight: 473.6464

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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.C4H5NO3S/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);3H,1-2H2