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

Systemtic Name: (4E)-4-(1,2,3-oxathiaziridin-3-ium-3-ylidene)-4-oxidanyl-butanal Openeye Name: (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butanal CAS Name: (4E)-4-hydroxy-4-(3-oxathiaziridin-3-iumylidene)butanal IUPAC Name: (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butanal Traditional Name: (4E)-4-hydroxy-4-(oxathiaziridin-3-ium-3-ylidene)butyraldehyde Formula: C4H6NO3S+ MolecularWeight: 148.16034

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=[N+]1OS1)O)C=O

Isomeric SMILES

C(C/C(=[N+]\1/OS1)/O)C=O

InChI

InChI=1S/C4H5NO3S/c6-3-1-2-4(7)5-8-9-5/h3H,1-2H2/p+1