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

Systemtic Name: 2-dodecylbenzenesulfonate; 2-[(E)-1,2,3-oxathiaziridin-3-ium-3-ylidene(oxidanyl)methyl]benzaldehyde Openeye Name: 2-dodecylbenzenesulfonate; 2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde CAS Name: 2-dodecylbenzenesulfonate; 2-[(E)-hydroxy(3-oxathiaziridin-3-iumylidene)methyl]benzaldehyde IUPAC Name: 2-dodecylbenzenesulfonate; 2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde Traditional Name: 2-[(E)-hydroxy(oxathiaziridin-3-ium-3-ylidene)methyl]benzaldehyde; 2-laurylbesylate Formula: C26H35NO6S2 MolecularWeight: 521.6892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C(=C1)C=O)C(=[N+]2OS2)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C1=CC=C(C(=C1)C=O)/C(=[N+]\2/OS2)/O

InChI

InChI=1S/C18H30O3S.C8H5NO3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;10-5-6-3-1-2-4-7(6)8(11)9-12-13-9/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);1-5H