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

Systemtic Name: benzenesulfonate; (E,4E)-4-(1,2,3-oxathiaziridin-3-ium-3-ylidene)-4-oxidanyl-but-2-enal Openeye Name: benzenesulfonate; (E,4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)but-2-enal CAS Name: benzenesulfonate; (E,4E)-4-hydroxy-4-(3-oxathiaziridin-3-iumylidene)-2-butenal IUPAC Name: benzenesulfonate; (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 besylate Formula: C10H9NO6S2 MolecularWeight: 303.31156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C(=CC(=[N+]1OS1)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C(=C/C(=[N+]\1/OS1)/O)\C=O

InChI

InChI=1S/C6H6O3S.C4H3NO3S/c7-10(8,9)6-4-2-1-3-5-6;6-3-1-2-4(7)5-8-9-5/h1-5H,(H,7,8,9);1-3H/b;2-1+