propyl (2E)-2-(2-methylperoxysulfanyl-6-methylsulfonyl-1H-pyridin-4-ylidene)-2-methylsulfonyl-ethanoate

Systemtic Name: propyl (2E)-2-(2-methylperoxysulfanyl-6-methylsulfonyl-1H-pyridin-4-ylidene)-2-methylsulfonyl-ethanoate Openeye Name: propyl (2E)-2-(2-methylperoxysulfanyl-6-methylsulfonyl-1H-pyridin-4-ylidene)-2-methylsulfonyl-acetate CAS Name: (2E)-2-[2-(methyldioxythio)-6-methylsulfonyl-1H-pyridin-4-ylidene]-2-methylsulfonylacetic acid propyl ester IUPAC Name: propyl (2E)-2-(2-methylperoxysulfanyl-6-methylsulfonyl-1H-pyridin-4-ylidene)-2-methylsulfonylacetate Traditional Name: (2E)-2-mesyl-2-[2-mesyl-6-(methylperoxythio)-1H-pyridin-4-ylidene]acetic acid propyl ester Formula: C13H19NO8S3 MolecularWeight: 413.48686

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(=C1C=C(NC(=C1)S(=O)(=O)C)SOOC)S(=O)(=O)C

Isomeric SMILES

CCCOC(=O)/C(=C\1/C=C(NC(=C1)S(=O)(=O)C)SOOC)/S(=O)(=O)C

InChI

InChI=1S/C13H19NO8S3/c1-5-6-21-13(15)12(25(4,18)19)9-7-10(23-22-20-2)14-11(8-9)24(3,16)17/h7-8,14H,5-6H2,1-4H3/b12-9+