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

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

Systemtic Name:2-[(E)-1,2,3-oxathiaziridin-3-ium-3-ylidene(oxidanyl)methyl]benzaldehyde; pyrene-1-sulfonate
Openeye Name:2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde; pyrene-1-sulfonate
CAS Name:2-[(E)-hydroxy(3-oxathiaziridin-3-iumylidene)methyl]benzaldehyde; 1-pyrenesulfonate
IUPAC Name:2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde; pyrene-1-sulfonate
Traditional Name:2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde; pyrene-1-sulfonate
Formula: C24H15NO6S2
MolecularWeight: 477.509
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)C(=[N+]2OS2)O.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)C=O)/C(=[N+]\2/OS2)/O.C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)S(=O)(=O)[O-]


InChI

InChI=1S/C16H10O3S.C8H5NO3S/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;10-5-6-3-1-2-4-7(6)8(11)9-12-13-9/h1-9H,(H,17,18,19);1-5H


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