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benzenesulfonate; 2-[(E)-1,2,3-oxathiaziridin-3-ium-3-ylidene(oxidanyl)methyl]benzaldehyde

benzenesulfonate; 2-[(E)-1,2,3-oxathiaziridin-3-ium-3-ylidene(oxidanyl)methyl]benzaldehyde

Systemtic Name:benzenesulfonate; 2-[(E)-1,2,3-oxathiaziridin-3-ium-3-ylidene(oxidanyl)methyl]benzaldehyde
Openeye Name:benzenesulfonate; 2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde
CAS Name:benzenesulfonate; 2-[(E)-hydroxy(3-oxathiaziridin-3-iumylidene)methyl]benzaldehyde
IUPAC Name:benzenesulfonate; 2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde
Traditional Name:2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde besylate
Formula: C14H11NO6S2
MolecularWeight: 353.37024
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)C=O)C(=[N+]2OS2)O


Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C(=C1)C=O)/C(=[N+]\2/OS2)/O


InChI

InChI=1S/C8H5NO3S.C6H6O3S/c10-5-6-3-1-2-4-7(6)8(11)9-12-13-9;7-10(8,9)6-4-2-1-3-5-6/h1-5H;1-5H,(H,7,8,9)


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